SCHEMBL1853771

SCHEMBL1853771

O=Cc1cc(F)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
VCAM1 P19320 1/20 0.37
NFE2L2 Q16236 2/20 0.36

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
SCHEMBL96823 0.82 TDP1 (0.61) TDP1ERN1ALDH1A1KDM4EHTT
SCHEMBL31171177 0.82 TDP1 (0.61) TDP1ERN1ALDH1A1KDM4EHTT
SCHEMBL20074265 0.79 CDK4 (0.37) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL4363014 0.78 ERN1 (0.46) TDP1ERN1ALDH1A1KDM4ELMNA
SCHEMBL29957006 0.78 ERN1 (0.46) TDP1ERN1ALDH1A1KDM4ELMNA
SCHEMBL16958857 0.77 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL16961502 0.77 NPC1 (0.40) HTTSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5404806 0.77 NFE2L2 (0.36) HTTSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL65723 0.76 ERN1 (0.56) ERN1ALDH1A1KDM4EPTPN1NFE2L2
Water SCHEMBL28915146 0.76 ERN1 (0.45) TDP1ERN1ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 CN claimed
CN-118344299-A Triazole chalcone compound, and preparation method and application thereof 延边大学 2024-07-16 CN claimed
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US claimed
EP-3749365-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION Ohio State Innovation Foundation (US) 2020-12-16 EP claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO claimed
US-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS INC (US) 2026-05-14 US disclosed
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 US disclosed
EP-4703361-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2026-03-04 EP disclosed
EP-4648766-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME Relay Therapeutics, Inc. (US) 2025-11-19 EP disclosed
EP-4605409-A2 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2025-08-27 EP disclosed
EP-4585596-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-07-16 EP disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
CN-1290249-A Aminoguanidine hydrazone derivatives, process for producing the same and drugs thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed
EP-0339417-A1 3-Cyano-4-phenyl-pyrroles BAYER AG (DE) 1989-11-02 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-20260131009-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF PIK3R5, PIK3R4, PIK3R1 TDP1 2328/4885ERN1 379/4885ALDH1A1 4550/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3097/4885ERN1 1946/4885ALDH1A1 4853/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3049/4885ERN1 1903/4885ALDH1A1 4851/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA TDP1 3284/4885ERN1 437/4885ALDH1A1 1259/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 TDP1 3049/4885ERN1 1903/4885ALDH1A1 4851/4885

“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.