SCHEMBL4910100

SCHEMBL4910100

CC(NC(=O)c1ccc(Cl)s1)c1cn(-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
F10 P00742 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PHGDH O43175 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4909500 0.87 F10 (0.39) SMN1; SMN2LMNAF10CYP2C9ALDH1A1
SCHEMBL4908803 0.79 HPGD (0.48) MAOAMAOBSMN1; SMN2POLBLMNA
SCHEMBL4914373 0.77 F10 (0.63) F10
SCHEMBL4910104 0.74 MAOA (0.40) MAOAMAOBSMN1; SMN2POLBLMNA
SCHEMBL6408184 0.68 TLR2 (0.43) SMN1; SMN2POLBLMNAHTR2AHTR2C
SCHEMBL4910219 0.67 NPC1 (0.44) SMN1; SMN2LMNACYP2C9ALDH1A1MEN1
SCHEMBL4911468 0.67 HPGD (0.43) POLBF10ALDH1A1MEN1KMT2A
SCHEMBL3089664 0.65 HPGD (0.52) LMNAF10HPGDKDM4E
SCHEMBL27946400 0.65 ROCK1 (0.50) LMNACYP3A4CYP2C9MEN1KMT2A
SCHEMBL13754450 0.65 SMN1; SMN2 (0.59) SMN1; SMN2POLBLMNAALDH1A1MEN1

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 MAOA 65/4885MAOB 6/4885SMN1; SMN2 3972/4885

“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.