SCHEMBL2586775

SCHEMBL2586775

Clc1ccc(SSc2ccc(Cl)cn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PLAU P00749 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PTK2 Q05397 1/20 0.36
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL28456854 0.84 L3MBTL1 (0.42) ALDH1A1DDB1CRBNADRA2AADRA2B
SCHEMBL13485293 0.80
SCHEMBL11736461 0.77 DDB1 (0.37) DDB1CRBNADRA2AADRA2BADRA2C
SCHEMBL11240410 0.77 ALDH1A1 (0.38) ALDH1A1DDB1CRBNADRA2AADRA2B
SCHEMBL3378744 0.75 L3MBTL1 (0.53) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL11139134 0.75 KMT2A (0.49) ALDH1A1HPGDDDB1CRBNL3MBTL1
SCHEMBL2348177 0.75 KDM4E (0.42) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL20379720 0.72 MAPT (0.51) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL7920850 0.72 KDM4E (0.43) ALDH1A1DDB1CRBNADRA2AADRA2B
SCHEMBL423594 0.72 L3MBTL1 (0.40) ALDH1A1DDB1CRBNL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 EP disclosed
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
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
US-4009168-A STABILIZERS FOR POLYOLEFINS UBE INDUSTRIES, LTD. (JA) 1977-02-22 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 1530/4885CYP1A2 598/4885CYP2C9 869/4885

“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.