SCHEMBL3211508

SCHEMBL3211508

CCOC(=O)C(F)(F)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
PIN1 Q13526 1/20 0.38
MMP8 P22894 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 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
SCHEMBL29987624 1.00 CYP1A2 (0.41) CYP1A2KMT2AHTTMEN1TSHR
SCHEMBL4617813 0.84 CYP1A2 (0.41) CYP1A2KMT2AHTTMEN1TSHR
SCHEMBL31135352 0.84 CYP1A2 (0.41) CYP1A2KMT2AHTTMEN1TSHR
SCHEMBL1813765 0.84 CYP1A2 (0.42) CYP1A2TSHRNPSR1PIN1MMP8
SCHEMBL29502459 0.84 CYP1A2 (0.42) CYP1A2TSHRNPSR1PIN1MMP8
SCHEMBL30527981 0.82 ALDH1A1 (0.44) KMT2AMEN1TSHRMAPK1
SCHEMBL11400082 0.81 PGK1 (0.36)
SCHEMBL4540451 0.81 CYP1A2 (0.41) CYP1A2TSHRNPSR1PIN1MMP8
SCHEMBL10322716 0.81 CYP1A2 (0.41) CYP1A2KMT2AHTTMEN1TSHR
SCHEMBL24618586 0.80 CYP1A2 (0.40) CYP1A2KMT2AHTTMEN1TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
US-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2026-02-05 US disclosed
EP-4561991-A1 NOVEL HETEROCYCLES AS SPLA2-X INHIBITORS Cayman Chemical Company, Inc. (US) 2025-06-04 EP disclosed
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
WO-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 WO disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US 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 (4 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 CYP1A2 1451/4885KMT2A 3012/4885HTT 2974/4885
US-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS PLA2G2F, PLA2R1, PLA2G12A CYP1A2 1230/4885KMT2A 3371/4885HTT 4291/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 CYP1A2 91/4885KMT2A 659/4885HTT 4071/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 CYP1A2 691/4885KMT2A 2543/4885HTT 3087/4885

“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.