SCHEMBL17796019

SCHEMBL17796019

COC(=O)c1c(C)nc2ccc(O)cc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL17792394 0.89 PKM (0.56) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16401866 0.89 PLA2G2A (0.67) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16400838 0.86 PLA2G2A (0.60) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16401883 0.83 PLA2G2A (0.48) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16401294 0.83 PLA2G2A (0.48) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30572427 0.82 MEN1 (0.71) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16401074 0.82 MEN1 (0.71) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17796016 0.81 KDM4E (0.42) PLA2G2AALDH1A1L3MBTL1PKMMAPT
SCHEMBL10091835 0.80 CA12 (0.49) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6289446 0.75 KMT2A (0.47) PLA2G2AMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PLA2G2A 718/4885MEN1 3763/4885KMT2A 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.