SCHEMBL6586049

SCHEMBL6586049

CCc1ccc(/C=C/c2nc(CCl)co2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.42
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
DHFR P00374 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
SCHEMBL6586055 1.00 ERBB2 (0.42) ERBB2NPC1POLBGAARAB9A
SCHEMBL4504715 0.89 ERBB2 (0.44) ERBB2
SCHEMBL4504713 0.89 ERBB2 (0.44) ERBB2
SCHEMBL27574299 0.85 ERBB2 (0.42) ERBB2
SCHEMBL27574300 0.85 ERBB2 (0.42) ERBB2
SCHEMBL6579995 0.85 ERBB2 (0.55) ERBB2NPC1RAB9A
SCHEMBL6579991 0.85 ERBB2 (0.55) ERBB2NPC1RAB9A
SCHEMBL4056631 0.83 ERBB2 (0.56) ERBB2
SCHEMBL4056632 0.83 ERBB2 (0.56) ERBB2
SCHEMBL5749738 0.82 ERBB2 (0.55) ERBB2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1487936-A Medicinal compositions having improved absorbability ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN 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-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER 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 (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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ERBB2 6/4885NPC1 3088/4885POLB 3804/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885NPC1 3069/4885POLB 3972/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885NPC1 1454/4885POLB 1127/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885NPC1 2155/4885POLB 2445/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885NPC1 146/4885POLB 3224/4885

“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.