SCHEMBL4777818

SCHEMBL4777818

CC(=O)N(C)c1ccccc1C(=O)/C=C/N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 9/20 0.43
GAA P10253 4/20 0.43
TSPO P30536 1/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4777821 1.00 RECQL (0.53) RECQLTDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL6686701 0.77 TSPO (0.51) TDP1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL29176318 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL29750390 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL29690244 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6769397 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6769396 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL30152192 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3742734 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL12315710 0.76 RECQL (0.59) RECQLTDP1ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024151-A2 SALTS AND CO-CRYSTALS OF PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF AND METHODS FOR THEIR PRODUCTION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-02-28 WO disclosed
US-20080045547-A1 Salts And Co-Crystals of Pyrazolopyrimidine Compounds, Compositions Thereof And Methods For Their Production And Use DOV PHARMACEUTICAL, INC. 2008-02-21 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-20080045547-A1 Salts And Co-Crystals of Pyrazolopyrimidine Compounds, Compositions Thereof And Methods For Their Production And Use PNPO, INPP5A, P2RY6 RECQL 924/4885TDP1 1027/4885ALDH1A1 2967/4885

“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.