SCHEMBL7053598

SCHEMBL7053598

COc1cc2sc(C)nc2cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1609280 0.81 ALOX15 (0.70) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL30423168 0.81 ALOX15 (0.70) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL9310828 0.78 GAA (0.66) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL21802735 0.78 SMN1; SMN2 (0.53) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL7057299 0.77 SMN1; SMN2 (0.50) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14970154 0.76 ALOX15 (0.62) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL9434842 0.76 ALOX15 (0.58) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL15839256 0.76 ALOX15 (0.58) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL18618286 0.75 ALOX15 (0.66) ALOX15ATMALDH1A1RAB9AMAPT
SCHEMBL28991053 0.73 SMN1; SMN2 (0.52) ALOX15ATMALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US claimed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US claimed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP claimed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP claimed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
US-5854262-A Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. (US) 1998-12-29 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 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 (2 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-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 ALOX15 886/4885ATM 2459/4885ALDH1A1 856/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 ALOX15 1215/4885ATM 1966/4885ALDH1A1 1055/4885

“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.