SCHEMBL3949072

SCHEMBL3949072

O=C(Cl)Cc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK8 P45983 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BCHE P06276 1/20 0.40
GLS O94925 1/20 0.40
DNMT3B Q9UBC3 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL1885453 0.88 MAPT (0.59) MAPTTP53ALDH1A1KMT2AKDM4E
SCHEMBL6864858 0.81 CES2 (0.48) MAPTTP53KMT2ACES2CES1
SCHEMBL2985954 0.80 CES2 (0.40) MAPTALDH1A1ALOX15KMT2ACES2
SCHEMBL503912 0.79 AKR1B1 (0.56) MAPTTP53ALDH1A1KMT2ACES2
SCHEMBL4717563 0.78 TAAR1 (0.42) MAPTTP53ALDH1A1ALOX15KMT2A
SCHEMBL1884539 0.77 CES2 (0.40) MAPTTP53ALDH1A1ALOX15CES2
SCHEMBL3959168 0.77 MAPT (0.45) MAPTTP53KMT2ACES2CES1
SCHEMBL1461227 0.77 CES2 (0.44) MAPTTP53ALDH1A1KMT2ACES2
SCHEMBL6390159 0.77 MAPK8 (0.49) MAPTTP53KMT2ACES2CES1
Hydrochloric Acid SCHEMBL1372001 0.77 AKR1B1 (0.54) MAPTTP53ALDH1A1KMT2ACES2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
EP-3889160-A1 THIAMINE COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Shanghai Raising Pharmaceutical Co., Ltd. (CN) 2021-10-06 EP disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
EP-3765009-A1 BICYCLIC ROR-GAMMA MODULATORS Escalier Biosciences, BV (US) 2021-01-20 EP disclosed
WO-2019177996-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-10-27 US disclosed
EP-1500650-A1 PYRIDINE COMPOUNDS OR SALTS THEREOF AND HERBICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-01-26 EP disclosed
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-5045556-A Aralkyl-4H-1,2,4-triazole derivatives CIBA-GEIGY CORPORATION (US) 1991-09-03 US disclosed
EP-0267147-B1 ARALKYL-4H-1,2,4-TRIAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1991-08-07 EP disclosed
EP-0267147-A1 Aralkyl-4H-1,2,4-triazole derivatives CIBA-GEIGY AG (CH) 1988-05-11 EP 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-20050239656-A1 Pyridine compounds or salts thereof and herbicides containing the same CBR3, CYP2C8, ABCC8 MAPT 4272/4885TP53 1025/4885ALDH1A1 1490/4885
US-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB MAPT 2269/4885TP53 3791/4885ALDH1A1 403/4885
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 MAPT 4415/4885TP53 4797/4885ALDH1A1 4812/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MAPT 2392/4885TP53 3459/4885ALDH1A1 287/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB MAPT 2392/4885TP53 3459/4885ALDH1A1 287/4885

“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.