SCHEMBL7708630

SCHEMBL7708630

O=C(NCCCCO)c1[nH]c2ncccc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 5/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 3/20 0.43
ALDH1A1 P00352 1/20 0.42
RHEB Q15382 1/20 0.39

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
SCHEMBL7714854 0.97 KMT2A (0.57) KMT2AMEN1MAPTGAATP53
SCHEMBL14739660 0.93 MEN1 (0.54) KMT2AMEN1MAPTGAATP53
SCHEMBL2594688 0.80 SLC6A4 (0.43) ALDH1A1RHEB
SCHEMBL14753482 0.80 MAPT (0.43) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL14740366 0.79 ALDH1A1 (0.47) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL7706342 0.78 RHEB (0.38) KMT2AMEN1ALDH1A1RHEB
SCHEMBL14738840 0.78 MEN1 (0.40) KMT2AMEN1MAPTGAATP53
SCHEMBL14753481 0.78 ALDH1A1 (0.48) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL2595477 0.77 TUBB4A (0.54) KMT2AMEN1ALDH1A1
SCHEMBL7705194 0.77 RHEB (0.39) KMT2AMEN1ALDH1A1RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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 (1 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 KMT2A 550/4885MEN1 3056/4885MAPT 969/4885

“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.