SCHEMBL9949706

SCHEMBL9949706

Fc1ccc2[nH]c(C(F)F)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.59
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
KDM4E B2RXH2 7/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
IDO1 P14902 2/20 0.38
AHR P35869 1/20 0.37
NPC1 O15118 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29438961 0.85 ALPL (0.72) ALDH1A1POLBALPLALPIALPG
SCHEMBL4111095 0.84 HSD17B10 (0.57) ALDH1A1POLBALPLALPIALPG
SCHEMBL17179726 0.84 ALPL (0.75) ALDH1A1POLBALPLALPIALPG
SCHEMBL8071556 0.81 ALPL (0.49) ALDH1A1POLBALPLALPIALPG
SCHEMBL8071559 0.81 ALPL (0.49) ALDH1A1POLBALPLALPIALPG
SCHEMBL6471271 0.81 ALPL (0.49) ALDH1A1POLBALPLALPIALPG
SCHEMBL25680681 0.80 ALDH1A1 (0.58) ALDH1A1POLBALPLALPIALPG
SCHEMBL10313788 0.80 ALDH1A1 (0.58) ALDH1A1POLBALPLALPIALPG
SCHEMBL13911523 0.77 ALPL (0.45) ALDH1A1POLBALPLALPIALPG
SCHEMBL1170649 0.76 KDM4E (0.52) ALDH1A1ALPLALPIALPGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ALDH1A1 3496/4885POLB 1670/4885ALPL 2350/4885

“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.