SCHEMBL8250341

SCHEMBL8250341

O=c1[nH]cnc2cc(OCc3ccccc3)c(O)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 6/20 0.63
IP6K3 Q96PC2 3/20 0.53
IP6K2 Q9UHH9 3/20 0.53
MAOB P27338 2/20 0.50
PARP1 P09874 2/20 0.50
ROCK2 O75116 1/20 0.48
PDPK1 O15530 1/20 0.44
CA12 O43570 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PIK3CD O00329 1/20 0.43
EGFR P00533 1/20 0.43
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PPARG P37231 1/20 0.42
RIN1 Q13671 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL4230633 0.95 IP6K1 (0.63) IP6K1IP6K3IP6K2MAOBPARP1
SCHEMBL20897397 0.89 IP6K1 (0.69) IP6K1IP6K3IP6K2PARP1ROCK2
SCHEMBL14520678 0.85 IP6K1 (0.63) IP6K1IP6K3IP6K2PARP1ROCK2
SCHEMBL1013586 0.84 IP6K1 (0.62) IP6K1IP6K3IP6K2PDPK1EGFR
SCHEMBL156504 0.84 IP6K1 (0.62) IP6K1IP6K3IP6K2PDPK1EGFR
Hydrochloric Acid SCHEMBL27988350 0.82 IP6K1 (0.60) IP6K1IP6K3IP6K2PDPK1EGFR
SCHEMBL4226040 0.82 IP6K1 (0.57) IP6K1IP6K3IP6K2MAOBPARP1
SCHEMBL17165598 0.82 IP6K1 (0.63) IP6K1IP6K3IP6K2PARP1ROCK2
SCHEMBL31352813 0.82 IP6K1 (0.63) IP6K1IP6K3IP6K2PARP1ROCK2
SCHEMBL26109341 0.82 IP6K1 (0.63) IP6K1IP6K3IP6K2PARP1ROCK2

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-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO 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-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A IP6K1 573/4885IP6K3 606/4885IP6K2 598/4885

“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.