SCHEMBL438997

SCHEMBL438997

FC(F)(F)c1ccc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.60
AHR P35869 3/20 0.55
HSD17B10 Q99714 1/20 0.53
NR4A2 P43354 2/20 0.50
CYP2A6 P11509 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
S1PR1 P21453 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR84 Q9NQS5 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NPC1 O15118 1/20 0.46
ESR1 P03372 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL28017064 0.86 AHR (0.53) KIF11AHRHSD17B10NR4A2CYP2A6
SCHEMBL7084999 0.85 NPC1 (0.62) KIF11AHRHSD17B10NR4A2CYP2A6
SCHEMBL29355842 0.83 KIF11 (0.65) KIF11AHRHSD17B10CYP2A6GPR84
SCHEMBL45243 0.83 KIF11 (0.65) KIF11AHRHSD17B10CYP2A6GPR84
SCHEMBL5720438 0.81 AHR (0.57) KIF11AHRNR4A2CYP2A6F7
SCHEMBL25026080 0.81 KIF11 (0.47) KIF11AHRHSD17B10NR4A2CYP2A6
SCHEMBL30375508 0.81 CYP17A1 (0.54) KIF11AHRHSD17B10NR4A2CYP2A6
SCHEMBL30375749 0.81 CYP2A6 (0.53) KIF11AHRNR4A2CYP2A6S1PR1
SCHEMBL30376017 0.81 KIF11 (0.47) KIF11AHRHSD17B10NR4A2CYP2A6
SCHEMBL30375432 0.81 HDAC1 (0.48) KIF11AHRNR4A2CYP2A6F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561735-A Compound with anti-glioma activity, preparation method and application thereof 海南大学 2024-08-30 CN claimed
CN-118056825-A Vilazodone derivative, synthesis method thereof and application thereof in preparation of antitumor drugs 复旦大学附属肿瘤医院 2024-05-21 CN claimed
US-12559480-B2 Methods of treatment using phenyl indole allosteric inhibitors of P97 ATPase University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2026-02-24 US disclosed
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 US disclosed
EP-4629988-A1 DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER AND INFECTIONS Centre National de la Recherche Scientifique (FR) 2025-10-15 EP disclosed
US-20250230127-A1 MONO- OR DI-SUBSTITUTED INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2025-07-17 US disclosed
US-12358878-B2 N-aromatic amide compounds, preparation methods and uses thereof SHENZHEN EDK PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2025-07-15 US disclosed
US-20250171452-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. 2025-05-29 US disclosed
CN-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed
CN-119775261-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2025-04-08 CN disclosed
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 EP disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
WO-2000017198-A1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-03-30 WO disclosed
EP-0912556-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
WO-1997048700-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 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-12559480-B2 Methods of treatment using phenyl indole allosteric inhibitors of P97 ATPase TMEM97, ADRM1, ABCB11 KIF11 1890/4885AHR 152/4885HSD17B10 2088/4885
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 KIF11 4594/4885AHR 419/4885HSD17B10 946/4885
US-20250230127-A1 MONO- OR DI-SUBSTITUTED INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS IDO1, IDO2, IRF3 KIF11 2517/4885AHR 429/4885HSD17B10 3734/4885
US-20250171452-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF IDO2, IDO1, TPSB2 KIF11 4545/4885AHR 91/4885HSD17B10 2363/4885
US-12358878-B2 N-aromatic amide compounds, preparation methods and uses thereof H1-3, H1-0, NAT1 KIF11 3336/4885AHR 34/4885HSD17B10 4073/4885

“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.