SCHEMBL2525492

SCHEMBL2525492

Cc1ccc(OC(=O)Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GRM5 P41594 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL7866641 0.82 KMT2A (0.57) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL11790413 0.82 KMT2A (0.57) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL9413732 0.81 KMT2A (0.55) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL30566578 0.81 KMT2A (0.55) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL5744624 0.80 NAPRT (0.48) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL9517194 0.79 KMT2A (0.54) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL16005606 0.78 ELANE (0.56) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL27773944 0.78 KMT2A (0.57) KMT2AMAPTMEN1CYP11B1CYP11B2
SCHEMBL21050084 0.75 KMT2A (0.67) KMT2AMAPTMEN1GRM5TDP1
SCHEMBL14570018 0.75 KMT2A (0.71) KMT2AMAPTMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US disclosed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 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 (3 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-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof BAD, NQO1, CASP3 KMT2A 3413/4885MAPT 4357/4885MEN1 1674/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 KMT2A 92/4885MAPT 2781/4885MEN1 928/4885
US-20090105166-A1 Novel lapachone compounds and methods of use thereof BAD, NQO1, CASP3 KMT2A 3413/4885MAPT 4357/4885MEN1 1674/4885

“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.