SCHEMBL830696

SCHEMBL830696

Nc1ccc(C(F)(F)F)nc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 7/20 0.35
HSD17B10 Q99714 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CA2 P00918 2/20 0.34
CHKA P35790 1/20 0.34
KMT2A Q03164 2/20 0.34
P2RX7 Q99572 1/20 0.34
PTGS2 P35354 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL30303053 1.00 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL1027473 0.80 P2RX7 (0.37) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL898882 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL29745069 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL25371113 0.77 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14127591 0.77 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL14630035 0.76 KDM4E (0.40) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL21211792 0.76 TRPV4 (0.43) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL434613 0.76 KDM4E (0.40) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL180808 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. 2025-05-29 US disclosed
EP-4482587-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF Biogen MA Inc. (US) 2025-01-01 EP disclosed
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 CN disclosed
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 CN disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 US disclosed
EP-1919474-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS Laboratoires Fournier S.A. (FR) 2008-05-14 EP disclosed
EP-1912644-A2 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-23 EP disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO disclosed
WO-2007026104-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
WO-2007010138-A2 N(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO 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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HSP90AA1 945/4885HSP90AB1 672/4885TRPV4 3830/4885
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 HSP90AA1 3517/4885HSP90AB1 2844/4885TRPV4 1452/4885
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR HSP90AA1 3072/4885HSP90AB1 2543/4885TRPV4 3335/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 HSP90AA1 969/4885HSP90AB1 1072/4885TRPV4 421/4885
US-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF EBPL, EBP, CREBBP HSP90AA1 657/4885HSP90AB1 437/4885TRPV4 4535/4885

“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.