SCHEMBL4016784

SCHEMBL4016784

O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
MAPT P10636 5/20 0.69
HTT P42858 2/20 0.69
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
LMNA P02545 4/20 0.64
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
GAA P10253 2/20 0.62
TSHR P16473 1/20 0.62
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL31633419 0.86 ALDH1A1 (0.56) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL15306485 0.86 KMT2A (0.56) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL15306484 0.86 MEN1 (0.59) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL27841700 0.85 MEN1 (0.74) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4627177 0.84 KMT2A (0.68) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4628604 0.83 ALDH1A1 (0.77) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL15306483 0.82 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15306488 0.82 RAB9A (0.67) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL3061430 0.82 MAPT (1.00) MAPTHTTMEN1KMT2ALMNA
SCHEMBL3262054 0.81 MEN1 (0.63) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 WO disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 ALDH1A1 1830/4885MAPT 306/4885HTT 1878/4885

“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.