SCHEMBL12119830

SCHEMBL12119830

O=C(O)c1nc2cccc(I)n2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.48
POLB P06746 2/20 0.46
KMO O15229 2/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
XDH P47989 1/20 0.43
CTSK P43235 1/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1320664 0.86 PIN1 (0.54) PIN1POLBKMOKMT2AALDH1A1
SCHEMBL12119833 0.84 MAPT (0.50) PIN1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12119835 0.81 USP7 (0.42) XDHKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12119843 0.76 CSNK1D (0.41) PIN1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL12119834 0.76 RXFP1 (0.42) PIN1ALDH1A1SMN1; SMN2XDHCYP1A2
SCHEMBL1321901 0.74 PIN1 (0.44) PIN1POLBKMOKMT2AALDH1A1
SCHEMBL1320079 0.72 MAPT (0.52) PIN1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16038291 0.71 ABCG2 (0.55) PIN1POLBKMOKMT2AALDH1A1
SCHEMBL13945675 0.70 PIN1 (0.46) PIN1POLBKMOKMT2AALDH1A1
SCHEMBL12357174 0.69 PIN1 (0.46) PIN1KMOKMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 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-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 PIN1 1532/4885POLB 2828/4885KMO 524/4885

“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.