SCHEMBL18255503

SCHEMBL18255503

CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 5/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 2/20 0.64
POLB P06746 1/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51

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
SCHEMBL7315643 0.87 HDAC1 (0.64) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL18255505 0.87 TSHR (0.51) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7318242 0.84 TSHR (0.58) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7311425 0.83 TSHR (0.59) RAB9AKMT2AMEN1POLBCYP1A2
SCHEMBL7318284 0.81 RXFP1 (0.57) KMT2AMEN1POLBCYP1A2CYP2D6
SCHEMBL15528933 0.81 MAPT (0.64) KMT2AMEN1GAATP53MAPT
SCHEMBL505634 0.81 PDCD1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7323880 0.80 PTGS1 (0.59) KMT2ACYP1A2CYP2D6CYP2C19TSHR
SCHEMBL23657660 0.80 RAB9A (0.78) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL7316304 0.78 ALDH1A1 (0.57) NPC1KMT2ASMN1; SMN2MEN1POLB

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-20160339124-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 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-20160339124-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR PARP4, PARP11, PARP1 RAB9A 3747/4885NPC1 1928/4885KMT2A 1071/4885

“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.