SCHEMBL25753214

SCHEMBL25753214

Cc1c([N+](=O)[O-])c(N)nn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 5/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25753210 0.77 SCN2A (0.39) MAPTALDH1A1PKMLMNAKMT2A
SCHEMBL8144751 0.68 PKM (0.56) MAPTALDH1A1PKMTDP1KDM4E
SCHEMBL18320731 0.67 CYP3A4 (0.44) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL20281197 0.67 PKM (0.43) MAPTALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL25753160 0.66 PKM (0.46) MAPTALDH1A1PKMTDP1KDM4E
SCHEMBL16620361 0.65 MEN1 (0.36) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL27790903 0.64 TTK (0.36) ALDH1A1TDP1KDM4ESMN1; SMN2HTT
SCHEMBL20702183 0.62 RAB9A (0.59) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL3850050 0.61 P2RX7 (0.34) TDP1KDM4ESMN1; SMN2
SCHEMBL689933 0.61 POLB (0.47) MAPTALDH1A1PKMKDM4ESMN1; SMN2

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-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 MAPT 2102/4885GPR55 4200/4885ALDH1A1 1276/4885

“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.