SCHEMBL3608838

SCHEMBL3608838

O=C(Nc1nnc(C2CC2)s1)c1ccc(CN(Cc2nccs2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
DGAT1 O75907 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PTGER3 P43115 4/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL3602101 0.82 NPC1 (0.50) POLBMEN1KMT2AKDM4ERAB9A
SCHEMBL3612520 0.82 CYP2C9 (0.55) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3598389 0.81 KMT2A (0.53) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3618198 0.79 CYP2C9 (0.52) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL8248464 0.79 POLB (0.52) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3604257 0.77 HDAC6 (0.52)
SCHEMBL5592737 0.74 CYP2C9 (0.64) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3608862 0.72 TRPM8 (0.42) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3612522 0.71 CYP2C9 (0.48) CYP2C9CYP2C19POLBCYP1A2CYP3A4
SCHEMBL3612523 0.70 CYP2C9 (0.48) CYP2C9CYP2C19POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 CYP2C9 22/4885CYP2C19 17/4885POLB 3674/4885

“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.