SCHEMBL8144751

SCHEMBL8144751

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
GRK5 P34947 1/20 0.42
LIMK1 P53667 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALPL P05186 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 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
SCHEMBL2386652 0.79 PKM (0.66) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL25753160 0.78 PKM (0.46) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL18282576 0.78 PKM (0.48) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL25170908 0.76 PKM (0.47) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL14357647 0.76 MAPT (0.48) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL9202274 0.76 PKM (0.47) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL20281197 0.76 PKM (0.43) PKMMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16833262 0.74 MAPT (0.53) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL13195724 0.73 SMN1; SMN2 (0.45) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL17051151 0.73 MAPT (0.46) PKMCHEK1DAPK3GRK5LIMK1

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 4 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-6118008-A FIBER-REACTIVE DYE; HAIR DYE L'OREAL (FR) 2000-09-12 US disclosed
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP disclosed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO 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 PKM 363/4885CHEK1 1805/4885DAPK3 635/4885

“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.