SCHEMBL4825677

SCHEMBL4825677

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
HTR2A P28223 1/20 0.50
HTR6 P50406 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL4959623 0.92 CTSV (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL23885352 0.84 PLA2G1B (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4011471 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30312308 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8899073 0.80 KIF11 (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL26630415 0.78 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3242431 0.77 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30554621 0.77 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13949744 0.76 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29540314 0.76 GABRA1 (0.70) MAPTMEN1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465738-B2 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-16 US disclosed
US-20050065173-A1 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED 2005-03-24 US disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 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-20050065173-A1 Compounds useful as promoters of SMN2 SMN1; SMN2, NSUN2, MECP2 MAPT 1001/4885MEN1 3565/4885KMT2A 410/4885

“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.