SCHEMBL25753149

SCHEMBL25753149

Cc1[nH]nc(N2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 6/20 0.48
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
SCN2A Q99250 2/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
STAT1 P42224 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL16473693 0.77 ALDH1A1 (0.42) MAPTKMT2ALMNAALDH1A1MAPK1
SCHEMBL25753201 0.74 SCN2A (0.44) MAPTCYP3A4KMT2ANPC1RAB9A
SCHEMBL25753161 0.73 SCN2A (0.43) CYP3A4KMT2AHPGDNPC1SCN2A
SCHEMBL3583148 0.72 SCN2A (0.47) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10718169 0.70 MAPT (0.49) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL25753210 0.69 SCN2A (0.39) MAPTCYP3A4KMT2ASCN2ALMNA
SCHEMBL10730917 0.68 ABCC8 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL16698918 0.68 SCN2A (0.46) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17627072 0.66 KMT2A (0.45) HTTMAPTKMT2AALDH1A1CASP3
SCHEMBL30860191 0.66 CYP1A2 (0.46) HTTCYP1A2CYP2D6CYP2C9MAPT

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-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 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-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF SQLE, HCCS, DHPS HTT 3077/4885CYP1A2 485/4885CYP2D6 513/4885

“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.