SCHEMBL3620307

SCHEMBL3620307

O=C(NC1CC1)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.52
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 3/20 0.43
SMYD3 Q9H7B4 3/20 0.43
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HSPA9 P38646 1/20 0.41
RBBP9 O75884 1/20 0.40
MAOB P27338 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
SCHEMBL12181482 0.93 MEN1 (0.54) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL5738394 0.92 TSHR (0.60) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL29529436 0.89 TNKS (0.47) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL5774113 0.89 TNKS (0.45) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL29528962 0.88 TNKS (0.44) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL29529071 0.85 ALDH1A1 (0.44) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL29528959 0.85 ALDH1A1 (0.44) TNKSMEN1TSHRKMT2AALDH1A1
SCHEMBL3874026 0.83 HRH3 (0.48) TNKSALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL16333688 0.81 PBK (0.51)
SCHEMBL16333685 0.81 PBK (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS TNKS 1217/4885MEN1 3485/4885TSHR 4453/4885

“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.