SCHEMBL25540481

SCHEMBL25540481

COc1ccccc1C(C#N)C(C#N)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
RORC P51449 1/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
VCAM1 P19320 1/20 0.45
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL6589663 0.81 RORC (0.54) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2817587 0.74 VCAM1 (0.55) MAPTLMNAALDH1A1VCAM1KMT2A
SCHEMBL57125 0.73 HTT (0.68) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL5035528 0.73 VCAM1 (0.57) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4656744 0.71 VCAM1 (0.51) MAPTSMN1; SMN2RORCLMNAALDH1A1
SCHEMBL11041179 0.70 TDP1 (0.47) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL25540488 0.70 MAPT (0.52) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL14744341 0.70 MAPT (0.60) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2962266 0.70 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL17125223 0.69 HSD17B10 (0.60) HPGDLMNAALDH1A1VCAM1KMT2A

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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR MAPT 727/4885SMN1; SMN2 3389/4885HPGD 1820/4885

“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.