SCHEMBL13333371

SCHEMBL13333371

NC(=O)c1ccc2c(Cl)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.52
PTPN1 P18031 1/20 0.46
LCK P06239 1/20 0.46
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
SLC9A1 P19634 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
PLAU P00749 2/20 0.42
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
TNKS O95271 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
SCHEMBL5664701 0.84 PTPN1 (0.66) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL27705620 0.82 SLC9A1 (0.69) SLC9A1
SCHEMBL6915287 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6913222 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6914945 0.82 HIPK2 (0.50) PARP1PTPN1CYP1A2CYP2A6ALDH1A1
SCHEMBL6916900 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6916903 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6914903 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6914950 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6915348 0.82 PTPN1 (0.64) PTPN1CYP1A2CYP2A6ALDH1A1MAPT

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-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 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-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PARP1 626/4885PTPN1 1868/4885LCK 4736/4885

“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.