SCHEMBL13714540

SCHEMBL13714540

COc1cccc(N/N=C(\Cl)C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM4 Q14833 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL8859224 1.00 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL8614756 1.00 MTNR1A (0.50) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL17206059 0.88 NPC1 (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL20213819 0.88 NPC1 (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL519308 0.85 MTNR1A (0.52) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL5168032 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL5168035 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL8015189 0.81 CA1 (0.58) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL28337467 0.81 MAPT (0.51) MTNR1AMTNR1BNPC1RAB9AMITF
SCHEMBL9067633 0.80 MAPT (0.70) NPC1RAB9ATSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579472-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES MUDRYK BOGUSLAW M 2007-12-06 US disclosed
US-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES MUDRYK BOGUSLAW M 2007-12-06 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-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES F2, TFPI, PDXK MTNR1A 4591/4885MTNR1B 3843/4885NPC1 4572/4885

“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.