SCHEMBL4732340

SCHEMBL4732340

C=CC(=O)Nc1c(F)cccc1F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TGM2 P21980 7/20 0.53
KMT2A Q03164 1/20 0.50
GSTO1 P78417 1/20 0.47
EGFR P00533 1/20 0.44
F13A1 P00488 1/20 0.44
LMNA P02545 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 1/20 0.44
BRD4 O60885 1/20 0.43
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL25249826 0.88 ALDH1A1 (0.50) ALDH1A1TGM2GSTO1EGFRBRD4
SCHEMBL29549372 0.88 HDAC1 (0.51) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL22807460 0.88 HDAC1 (0.51) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL17524753 0.85 ALDH1A1 (0.47) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL23652893 0.85 ALDH1A1 (0.47) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL22807410 0.82 TGM2 (0.48) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL17522189 0.81 ALDH1A1 (0.44) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL29505780 0.79 TGM2 (0.49) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL18765284 0.79 TGM2 (0.49) ALDH1A1TGM2KMT2AGSTO1EGFR
SCHEMBL1379801 0.78 ALDH1A1 (0.64) ALDH1A1TGM2KMT2AGSTO1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
US-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 EP disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (6 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ALDH1A1 1064/4885TGM2 3610/4885KMT2A 373/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ALDH1A1 1243/4885TGM2 3614/4885KMT2A 405/4885
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK ALDH1A1 1464/4885TGM2 2919/4885KMT2A 926/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ALDH1A1 4262/4885TGM2 3218/4885KMT2A 2608/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ALDH1A1 2964/4885TGM2 376/4885KMT2A 2467/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ALDH1A1 4077/4885TGM2 1793/4885KMT2A 2289/4885

“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.