SCHEMBL14740366

SCHEMBL14740366

O=C(NCc1ccc(O)c(O)c1)c1[nH]c2ncccc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ERCC1 P07992 4/20 0.45
ERCC4 Q92889 4/20 0.45
POLB P06746 3/20 0.44
RHEB Q15382 1/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL14739660 0.82 MEN1 (0.54) ALDH1A1RHEBMEN1KMT2AMAPT
SCHEMBL7714854 0.80 KMT2A (0.57) ALDH1A1POLBRHEBMEN1KMT2A
SCHEMBL7708630 0.79 KMT2A (0.56) ALDH1A1RHEBMEN1KMT2AMAPT
SCHEMBL2594688 0.78 SLC6A4 (0.43) ALDH1A1RHEB
SCHEMBL14753482 0.75 MAPT (0.43) ALDH1A1RHEBMEN1KMT2AMAPT
SCHEMBL2595477 0.75 TUBB4A (0.54) ALDH1A1MEN1KMT2A
SCHEMBL14753480 0.74 MAPT (0.45) ALDH1A1POLBRHEBMEN1KMT2A
SCHEMBL14738840 0.73 MEN1 (0.40) ALDH1A1RHEBMEN1KMT2AMAPT
SCHEMBL14753481 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL14753478 0.73 NUDT1 (0.41) ALDH1A1NPC1MEN1KMT2AMAPT

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 4 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

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 ALDH1A1 1530/4885ERCC1 4144/4885ERCC4 4415/4885

“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.