SCHEMBL30358017

SCHEMBL30358017

COC(=O)C1=C(C)NC(C)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.65
CYP3A4 P08684 5/20 0.65
CYP2C9 P11712 5/20 0.65
CYP2C19 P33261 5/20 0.65
MAPT P10636 5/20 0.65
LMNA P02545 4/20 0.65
CYP2D6 P10635 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
TSHR P16473 3/20 0.65
ADORA3 P0DMS8 3/20 0.65
ADRA1A P35348 3/20 0.65
SLC6A3 Q01959 3/20 0.65
ABCB1 P08183 3/20 0.65
ADRA2A P08913 3/20 0.65
MTOR P42345 2/20 0.65
RAB9A P51151 2/20 0.65
PGR P06401 2/20 0.65
CHRM2 P08172 2/20 0.65
HTR1A P08908 2/20 0.65
CHRM1 P11229 2/20 0.65

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
SCHEMBL7308471 1.00 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7320393 0.95 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7309693 0.94 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7314717 0.94 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7315686 0.94 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7313806 0.94 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7315785 0.94 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7313255 0.93 CACNA1C (0.59) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7309578 0.93 CACNA1C (0.63) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7320497 0.93 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAPT

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
EP-3485881-B1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS HARVARD COLLEGE (US) 2024-03-13 EP disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CYP1A2 4454/4885CYP3A4 4368/4885CYP2C9 4155/4885

“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.