SCHEMBL2315424

SCHEMBL2315424

OCc1cccn2cc(-c3ccccc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.67
ALDH1A2 O94788 3/20 0.67
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 7/20 0.60
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HSD17B10 Q99714 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 3/20 0.60
TP53 P04637 3/20 0.60
TSHR P16473 1/20 0.60
DHODH Q02127 1/20 0.58
ADORA1 P30542 2/20 0.49
ADORA2A P29274 1/20 0.49
GAA P10253 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 3/20 0.48

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
SCHEMBL14542378 0.87 NPC1 (0.56) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL10751772 0.81 NPC1 (0.54) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL2315617 0.80 ALDH1A3 (0.65) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL973108 0.77 ALDH1A3 (0.70) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL1481133 0.76 DHODH (0.94) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL24307129 0.76 ALDH1A3 (0.68) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL4837433 0.76 ALDH1A1 (1.00) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL9082442 0.76 ALDH1A3 (0.68) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL2315975 0.76 NPC1 (0.38) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1
SCHEMBL13454271 0.75 ALDH1A3 (0.80) ALDH1A3ALDH1A2ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404707-B2 Imidazo [1, 2-a] pyrrolo [3, 2-c] pyridine compounds useful as pestivirus inhibitors UNIVERSITE D'AUVERGNE CLERMONT 1 (FR) 2013-03-26 US disclosed
EP-2125807-B1 IMIDAZO[1,2-A]PYRROLO[3,2-C]PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS UNIV LEUVEN KATH (BE) 2011-08-03 EP disclosed
US-20100093781-A1 IMIDAZO [1, 2-A] PYRROLO [3, 2-C] PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS UNIVERSITE D'AUVERGNE CLERMONT 1 (FR) 2010-04-15 US disclosed
US-5721248-A CALCIUM AGONISTS; TREATING CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 US disclosed
US-5545646-A CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0630895-A1 4-Bicyclic substituted dihydropyridines, process for their preparation and their use in medicaments BAYER AG (DE) 1994-12-28 EP disclosed
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 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-20100093781-A1 IMIDAZO [1, 2-A] PYRROLO [3, 2-C] PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS PPM1D, CDKN1A, PPM1A ALDH1A3 3587/4885ALDH1A2 4060/4885ALDH1A1 1442/4885

“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.