SCHEMBL2780372

SCHEMBL2780372

COc1cccc(OC)c1CNC(=N)Nc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.52
HSP90AA1 P07900 1/20 0.52
RAB9A P51151 1/20 0.52
KLF5 Q13887 1/20 0.52
ALDH1A1 P00352 9/20 0.47
POLB P06746 2/20 0.47
GAA P10253 3/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
AGTR1 P30556 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL2781962 0.95 ALDH1A1 (0.51) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2783092 0.89 KDM4E (0.48) KDM4EMEN1KMT2ASMN1; SMN2MAPT
Acetic Acid SCHEMBL2782325 0.84 ALDH1A1 (0.50) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2780375 0.78 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17620891 0.75 ALDH1A1 (0.48) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4425279 0.72 MAPT (0.54) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2783098 0.71 KDM4E (0.50) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2780766 0.71 GFER (0.46) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2781208 0.71 ROCK2 (0.41) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2780832 0.71 GFER (0.51) KDM4EKMT2ASMN1; SMN2MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY SYMRISE AG (DE) 2024-07-18 US disclosed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 US disclosed
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP disclosed
WO-2024110515-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2024-05-30 WO disclosed
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL SYMRISE AG (DE) 2024-05-30 US disclosed
WO-2024104546-A1 A BLEND OF EMOLLIENTS SYMRISE AG (DE) 2024-05-23 WO disclosed
WO-2024104625-A1 A BLEND OF EMOLLIENTS SYMRISE AG (DE) 2024-05-23 WO disclosed
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN SYMRISE AG (DE) 2024-04-18 US disclosed
US-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION SYMRISE AG (DE) 2024-04-18 US disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2013-08-08 US disclosed
EP-2579950-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT Symrise AG (DE) 2013-04-17 EP disclosed
WO-2010149798-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2010-12-29 WO disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH KDM4E 3816/4885MEN1 1093/4885KMT2A 3826/4885
US-20240122834-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF HYPERPIGMENTATION MC1R, OR51E2, TYR KDM4E 4340/4885MEN1 3943/4885KMT2A 4263/4885
US-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 KDM4E 3662/4885MEN1 2789/4885KMT2A 2648/4885
US-20240122816-A1 ARTICLES FOR INDIRECT TRANSFER OF COSMETIC ACTIVES TO SKIN CUTA, POLR1C, SLC16A7 KDM4E 1440/4885MEN1 2879/4885KMT2A 679/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 KDM4E 1061/4885MEN1 3045/4885KMT2A 2214/4885
US-20240237643-A1 COMPOSITIONS WITH VIRUCIDAL AND/OR ANTIVIRAL ACTIVITY ZC3HAV1, SAMHD1, ZC3HAV1L KDM4E 3832/4885MEN1 4207/4885KMT2A 3922/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D KDM4E 3662/4885MEN1 404/4885KMT2A 4022/4885
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT CUTA, MCOLN2, MCOLN3 KDM4E 4264/4885MEN1 1066/4885KMT2A 3708/4885
US-20240173227-A1 A FRAGRANCE MIXTURE CONTAINING ISOCITRONELLOL IPO5, OR51E2, FDFT1 KDM4E 2987/4885MEN1 1323/4885KMT2A 2668/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 KDM4E 4369/4885MEN1 1247/4885KMT2A 4178/4885
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E KDM4E 3290/4885MEN1 4300/4885KMT2A 4384/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.