SCHEMBL12378577

SCHEMBL12378577

Fc1cc(F)c(I)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.39
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL926241 0.89 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL30525059 0.89 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL13664729 0.86 ALDH1A1 (0.34) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL12479245 0.83 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL19001649 0.78 CA1 (0.31)
SCHEMBL7534006 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL22289792 0.77 AHR (0.39) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL29503648 0.77 AHR (0.39) ALDH1A1TDP1KDM1AKDM1B
SCHEMBL21585895 0.77 ALDH1A1 (0.39) ALDH1A1TDP1MAPTKDM1AKDM1B
SCHEMBL9908757 0.77 ALDH1A1 (0.39) ALDH1A1TDP1MAPTKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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 (2 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS ALDH1A1 2040/4885TDP1 28/4885MAPT 3768/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI ALDH1A1 1220/4885TDP1 63/4885MAPT 3583/4885

“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.