SCHEMBL13814561

SCHEMBL13814561

COC(=O)c1cc(F)c(I)cc1N

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.60
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.53
GAA P10253 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NQO2 P16083 1/20 0.43
SOS1 Q07889 1/20 0.40
POLB P06746 1/20 0.39
CGAS Q8N884 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
SCHEMBL29568744 1.00 CFTR (0.60) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL16155019 0.93 CFTR (0.65) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL2900514 0.87 KDM4E (0.59) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL195591 0.85 KDM4E (0.61) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL3872035 0.85 CFTR (0.50) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL11922634 0.84 CFTR (0.49) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL21929291 0.83 CFTR (0.56) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL24324843 0.82 KDM4E (0.58) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL29611549 0.82 KDM4E (0.58) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL3616519 0.81 KDM4E (0.56) CFTRKDM4EALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-12 US disclosed
WO-2018170275-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-20 WO disclosed
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-06-18 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 (4 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-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 CFTR 165/4885KDM4E 2311/4885ALDH1A1 712/4885
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists OPRD1, OPRM1, OPRK1 CFTR 3447/4885KDM4E 1278/4885ALDH1A1 577/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 CFTR 3447/4885KDM4E 1278/4885ALDH1A1 577/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 CFTR 4077/4885KDM4E 126/4885ALDH1A1 1878/4885

“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.