Benzene

Benzene

SCHEMBL9903610

C#Cc1ccc2sc(N3CCCCC3)nc2n1.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.48
RAB9A P51151 11/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 10/20 0.45
TSHR P16473 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 8/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 3/20 0.39
TP53 P04637 4/20 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
SCHEMBL29855444 0.76 RAB9A (0.48) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL16896533 0.75 RAB9A (0.54) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL29855600 0.69 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL29855755 0.68 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL7217567 0.66 RAB9A (0.71) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL2714682 0.66 HPGD (0.41) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL11783793 0.66 RAB9A (0.71) SMN1; SMN2RAB9AHPGDNPC1TSHR
SCHEMBL9903609 0.66 HRH3 (0.56) HRH3ALDH1A1KDM4EGLAGAA
SCHEMBL15539388 0.64 PDE10A (0.41) HPGDTSHRL3MBTL1ALDH1A1HTT
SCHEMBL8526236 0.64 RAB9A (0.73) SMN1; SMN2RAB9ANPC1TSHRALDH1A1

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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 SMN1; SMN2 896/4885RAB9A 1718/4885HPGD 1776/4885

“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.