SCHEMBL4319934

SCHEMBL4319934

Cc1c(C(C)C)nc2ccc([N+](=O)[O-])cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
APP P05067 1/20 0.39
TSPO P30536 1/20 0.38

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
SCHEMBL4311317 0.81 MAPT (0.57) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL4313316 0.77 ALDH1A1 (0.52) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL4315960 0.76 MAPT (0.49) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL13677501 0.74 ALDH1A1 (0.37) MAPTALDH1A1GAACYP1A2CYP2C9
SCHEMBL4325543 0.74 ALDH1A1 (0.50) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL4331874 0.73 ALDH1A1 (0.51) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL16160303 0.73 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL16160311 0.73 CYP11B1 (0.48) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16160310 0.73 GAA (0.42) MAPTALDH1A1GAACYP1A2CYP2C9
SCHEMBL11914745 0.73 ALDH1A1 (0.46) MAPTALDH1A1LMNAGAACYP1A2

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-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 MAPT 3054/4885ALDH1A1 920/4885LMNA 3634/4885

“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.