SCHEMBL91337

SCHEMBL91337

CCc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PSIP1 O75475 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL170719 0.85 ACHE (0.50) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL5853395 0.85 GABRA1 (0.46) KDM4EALDH1A1SMN1; SMN2TAAR1GABRA1
SCHEMBL31614296 0.83 EED (0.43) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL14144306 0.83 EED (0.43) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL15302265 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL13180286 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL13345386 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL8370064 0.83 TAAR1 (0.41) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL16961559 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA
SCHEMBL29335198 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2TAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
WO-2024139260-A1 ALLICIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF 成都新朝阳作物科学股份有限公司 2024-07-04 WO disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
CN-116947720-A Allicin derivative and preparation method and application thereof 成都新朝阳作物科学股份有限公司 2023-10-27 CN disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11795178-B2 Compositions of thienopyrimidine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-24 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
WO-2005042530-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-05-12 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
US-6613493-B2 Formed by nitrating a polyvinylphenol or a novalak and reacting the the hydroxy group with with a halide comprising an acid labile protecting group, such as 2-(1-bromoethyl)-1,3-difluorobenzene HYNIX SEMICONDUCTOR INC (KR) 2003-09-02 US disclosed
US-20030013036-A1 Photoresist polymer and composition having nitro groups HYNIX SEMICONDUCTOR INC. (KR) 2003-01-16 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 (8 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-11795178-B2 Compositions of thienopyrimidine derivatives GNRHR, KISS1R, MC4R KDM4E 305/4885ALDH1A1 2690/4885SMN1; SMN2 3734/4885
US-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS KDM4E 1716/4885ALDH1A1 783/4885SMN1; SMN2 2497/4885
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF TYMP, TYMS, DPYD KDM4E 3467/4885ALDH1A1 1062/4885SMN1; SMN2 1769/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD KDM4E 1535/4885ALDH1A1 654/4885SMN1; SMN2 2180/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC KDM4E 782/4885ALDH1A1 188/4885SMN1; SMN2 4280/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 KDM4E 1220/4885ALDH1A1 802/4885SMN1; SMN2 4726/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 KDM4E 4646/4885ALDH1A1 2257/4885SMN1; SMN2 3983/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC KDM4E 3678/4885ALDH1A1 946/4885SMN1; SMN2 1243/4885

“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.