SCHEMBL45243

SCHEMBL45243

FC(F)(F)c1ccc2cc[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.65
HSD17B10 Q99714 2/20 0.58
ESR1 P03372 2/20 0.56
AHR P35869 5/20 0.55
METAP2 P50579 1/20 0.52
CMA1 P23946 1/20 0.50
TYR P14679 1/20 0.50
GPR84 Q9NQS5 1/20 0.47
ENPP2 Q13822 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL29355842 1.00 KIF11 (0.65) KIF11HSD17B10ESR1AHRMETAP2
SCHEMBL7091832 0.85 ESR1 (0.55) KIF11HSD17B10ESR1AHRCMA1
SCHEMBL438997 0.83 KIF11 (0.60) KIF11HSD17B10ESR1AHRMETAP2
SCHEMBL29275206 0.81 ESR1 (0.51) KIF11HSD17B10ESR1AHRCMA1
SCHEMBL7088387 0.80 S1PR1 (0.51) KIF11ESR1AHRCMA1TYR
SCHEMBL84519 0.79 AHR (0.50) KIF11HSD17B10ESR1AHRCMA1
SCHEMBL22803975 0.77 ESR1 (0.61) KIF11HSD17B10ESR1AHRMEN1
SCHEMBL22803779 0.75 ESR1 (0.52) KIF11ESR1
SCHEMBL22803601 0.75 ESR1 (0.78) ESR1CA1CA2
SCHEMBL28207032 0.75 ESR1 (0.54) KIF11ESR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120158215-A Multifunctional water paint for engine and preparation method thereof 陕西虹瑞化工科技有限公司 2025-06-17 CN claimed
CN-112251771-B Method for synthesizing C-2 bromo-indole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN claimed
US-12616193-B2 5-(1H-indol-3-yl)-oxazole, -oxadiazole and -furan derivatives as enhancers of sperm motility SPERMATECH AS (NO) 2026-05-05 US disclosed
CN-120158215-A Multifunctional water paint for engine and preparation method thereof 陕西虹瑞化工科技有限公司 2025-06-17 CN disclosed
WO-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
EP-4247790-B1 STING ANTAGONISTS AND USES THEREOF REGOR PHARMACEUTICALS INC (US) 2024-10-09 EP disclosed
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2024-08-27 US disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed
WO-1997045408-A1 HERBICIDAL INDOLINES ZENECA LIMITED (GB) 1997-12-04 WO disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA KIF11 4384/4885HSD17B10 269/4885ESR1 2/4885
US-12616193-B2 5-(1H-indol-3-yl)-oxazole, -oxadiazole and -furan derivatives as enhancers of sperm motility NR5A1, CATSPER1, HCN3 KIF11 1036/4885HSD17B10 477/4885ESR1 1944/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KIF11 3599/4885HSD17B10 3627/4885ESR1 3973/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 KIF11 2965/4885HSD17B10 1567/4885ESR1 418/4885
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 KIF11 3457/4885HSD17B10 758/4885ESR1 1338/4885

“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.