SCHEMBL9944989

SCHEMBL9944989

CCCNC(=O)c1cc([N+](=O)[O-])c(NC)cc1N1CCC2(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR3 P49019 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9944808 0.86 KMT2A (0.46) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL9944993 0.86 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9944990 0.84 KIF18A (0.36) ALDH1A1GAA
SCHEMBL9944969 0.82 ALDH1A1 (0.37) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9944949 0.81 POLB (0.43) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9945032 0.81 MAPT (0.48) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9944769 0.81 MAPT (0.48) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9944820 0.77 ALDH1A1 (0.39) ALDH1A1GAAMAPTKMT2AHPGD
SCHEMBL9944846 0.77 KMT2A (0.47) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9944901 0.76 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885LMNA 1817/4885GAA 1609/4885

“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.