SCHEMBL167618

SCHEMBL167618

NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.79
ALDH1A1 P00352 5/20 0.71
MAPT P10636 5/20 0.68
HTT P42858 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 1/20 0.68
PKM P14618 1/20 0.68
TP53 P04637 1/20 0.64
GAA P10253 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
XBP1 P17861 1/20 0.62
PTGS1 P23219 2/20 0.61
IDO1 P14902 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60

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
Hydrochloric Acid SCHEMBL30543132 0.98 KIF11 (0.77) KIF11ALDH1A1MAPTHTTMEN1
Hydrochloric Acid SCHEMBL27946916 0.98 KIF11 (0.77) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL16208487 0.94 KIF11 (0.86) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL4771664 0.92 KIF11 (0.69) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL6430912 0.89 MAPT (0.81) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL16208450 0.89 KIF11 (1.00) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL30234057 0.86 ALDH1A1 (0.67) KIF11ALDH1A1MAPTHTTMEN1
SCHEMBL30101230 0.85 KMT2A (0.90) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL5597699 0.85 KMT2A (0.90) ALDH1A1MAPTHTTMEN1KMT2A
Fluometuron SCHEMBL8477205 0.85 TP53 (0.80) KIF11ALDH1A1MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532476-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-04-09 EP claimed
CN-119630645-A Flavivirus inhibitors IRBM股份公司 2025-03-14 CN claimed
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN claimed
WO-2023227734-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-30 WO claimed
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN claimed
CN-116365029-A Lithium ion electrolyte and preparation method thereof 广东金光高科股份有限公司 2023-06-30 CN claimed
CN-113248472-A Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2021-08-13 CN claimed
CN-111662275-A Benzenesulfonamide IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2020-09-15 CN claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1005459-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-06-07 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO claimed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US claimed
EP-0652871-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP claimed
EP-0562731-A1 Substituted pyridinesulfonamide compounds or their salts, process for preparing the same, and herbicides containing the same ISHIHARA SANGYO KAISHA, Ltd. (JP) 1993-09-29 EP claimed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP claimed
US-4250319-A RIPENER FOR SUGARCANE W. R. GRACE & CO. (US) 1981-02-10 US claimed
US-3991093-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 KIF11 976/4885ALDH1A1 3711/4885MAPT 1332/4885

“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.