SCHEMBL3199172

SCHEMBL3199172

O=[C]c1cccc2nc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDPK1 O15530 2/20 0.40
CA12 O43570 1/20 0.40
ALOX15 P16050 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ACVR1 Q04771 1/20 0.31
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
IP6K2 Q9UHH9 1/20 0.31

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
SCHEMBL10536 0.81 DYRK1A (0.38) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL31568071 0.81 PARP1 (0.40) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL311558 0.73 PARP1 (0.40) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL196912 0.73 PARP1 (0.42) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL3232202 0.71 PARP1 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL196737 0.69 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL312428 0.69 PARP1 (0.43) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL1445123 0.69 PDPK1 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL1651016 0.69 PARP1 (0.53) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL4130388 0.69 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15

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
JP-6092934-A None JP disclosed
US-20100041722-A1 ORGANIC COMPOUNDS HU QI-YING 2010-02-18 US disclosed
JP-H0692934-A COMPOUND USEFUL IN PRODUCING PIPERAZINE DERIVATIVE AND SALT THEREOF DUPHAR INTERNATL RES BV 1994-04-05 JP 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-20100041722-A1 ORGANIC COMPOUNDS CYP11B1, CYP11B2, CYP21A2 PARP1 3522/4885SMN1; SMN2 4518/4885PDPK1 2963/4885

“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.