SCHEMBL6580375

SCHEMBL6580375

c1ccc(COc2cccc(CCCn3ccnn3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MGLL Q99685 1/20 0.48
BCHE P06276 7/20 0.48
CYP19A1 P11511 1/20 0.46
MAOB P27338 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 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
SCHEMBL6580252 0.87 HMOX1 (0.54) MGLLBCHECYP19A1ATP4AATP4B
SCHEMBL31286286 0.84 CYP19A1 (0.62) CYP4F2CYP4A11MGLLBCHECYP19A1
SCHEMBL6582554 0.84 HMOX1 (0.53) MGLLBCHECYP19A1ATP4AATP4B
SCHEMBL3113486 0.81 CYP19A1 (0.62) CYP19A1ATP4AATP4B
SCHEMBL6582225 0.79 CYP19A1 (0.45) MGLLCYP19A1
SCHEMBL5760109 0.78 HMOX1 (0.65) CYP19A1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL6760653 0.76 CYP19A1 (0.61) MGLLCYP19A1ATP4AATP4B
Hydrochloric Acid SCHEMBL689975 0.76 ATP4A (0.48) CYP19A1MAOBALDH1A1ATP4AATP4B
SCHEMBL15599120 0.76 SIGMAR1 (0.47) CYP19A1ATP4AATP4B
SCHEMBL28476298 0.75 MAOB (0.54) CYP19A1MAOBMEN1KMT2A

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 11 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
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 (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 CYP4F2 840/4885CYP4A11 422/4885MGLL 3518/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 CYP4F2 953/4885CYP4A11 557/4885MGLL 3635/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 CYP4F2 479/4885CYP4A11 384/4885MGLL 2365/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 CYP4F2 3188/4885CYP4A11 4425/4885MGLL 4006/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 CYP4F2 1806/4885CYP4A11 699/4885MGLL 490/4885

“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.