SCHEMBL6580252

SCHEMBL6580252

c1ccc(COc2ccc(CCCn3ccnn3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
BCHE P06276 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.48
ERBB2 P04626 1/20 0.46

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
SCHEMBL6582554 0.96 HMOX1 (0.53) HMOX1LTA4HEPHX2ATP4AATP4B
SCHEMBL6580375 0.87 CYP4F2 (0.51) ATP4AATP4BBCHELMNASMN1; SMN2
SCHEMBL3113486 0.86 CYP19A1 (0.62) ATP4AATP4BCYP19A1
SCHEMBL28476298 0.82 MAOB (0.54) KMT2ACYP19A1ERBB2MINK1
SCHEMBL28476109 0.82 FFAR1 (0.50) HMOX1ATP4AATP4BERBB2MINK1
SCHEMBL28472414 0.82 MAOB (0.53) ERBB2MINK1
SCHEMBL10789556 0.82 CYP19A1 (0.54) HMOX1BCHENPC1LMNATP53
SCHEMBL28477880 0.82 ERBB2 (0.54) HMOX1LTA4HEPHX2ATP4AATP4B
SCHEMBL6760653 0.81 CYP19A1 (0.61) ATP4AATP4BCYP19A1MGLL
SCHEMBL30168324 0.80 CYP19A1 (0.59) ATP4AATP4BCYP19A1MGLL

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-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 HMOX1 2059/4885LTA4H 4088/4885EPHX2 2703/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 HMOX1 2162/4885LTA4H 4252/4885EPHX2 2963/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 HMOX1 3477/4885LTA4H 2521/4885EPHX2 2983/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 HMOX1 725/4885LTA4H 3586/4885EPHX2 1905/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 HMOX1 1583/4885LTA4H 1860/4885EPHX2 3048/4885

“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.