SCHEMBL1735017

SCHEMBL1735017

O=Cc1ccc(N2CCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.51
KCNJ1 P48048 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 2/20 0.47
UBE2T Q9NPD8 1/20 0.47
ALDH1A3 P47895 4/20 0.46
AOC3 Q16853 2/20 0.43

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
SCHEMBL840830 0.98 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2322917 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKCNJ1
SCHEMBL29805413 0.84 PLD1 (0.49) ALDH1A1KDM4EKCNJ1
SCHEMBL1124372 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL1569943 0.84 PLD1 (0.49) ALDH1A1KDM4EKCNJ1
SCHEMBL30287647 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL25082374 0.82 KCNJ1 (0.44) TRIM24TRIM33ALDH1A1MAPTKCNJ1
SCHEMBL844318 0.82 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTKCNJ1
SCHEMBL14235512 0.82 KCNJ1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTKCNJ1
SCHEMBL21411324 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 EP claimed
EP-2245132-A1 ENCAPSULATED BENEFIT AGENT Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-11-03 EP claimed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 WO claimed
CN-113563327-B Novel mesoionic compound and synthesis and application thereof 东莞市东阳光农药研发有限公司 2024-11-29 CN disclosed
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-12-15 US disclosed
EP-3774736-B1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES INC (US) 2022-11-16 EP disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
EP-3774736-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING Neuropore Therapies, Inc. (US) 2021-02-17 EP disclosed
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2021-01-28 US disclosed
EP-2245132-A1 ENCAPSULATED BENEFIT AGENT Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-11-03 EP disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 WO disclosed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 WO disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 US disclosed
EP-1114048-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS Bombrun, Agnès (FR) 2001-07-11 EP disclosed
WO-2000015639-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-03-23 WO 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 (5 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-11345713-B2 Compounds as modulators of TLR2 signaling TLR2, TLR4, TLR3 TRIM24 1887/4885TRIM33 3127/4885ALDH1A1 4464/4885
US-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 TRIM24 2967/4885TRIM33 2174/4885ALDH1A1 683/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 TRIM24 2967/4885TRIM33 2174/4885ALDH1A1 683/4885
US-20220396583-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 TRIM24 1887/4885TRIM33 3127/4885ALDH1A1 4464/4885
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 TRIM24 1887/4885TRIM33 3127/4885ALDH1A1 4464/4885

“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.