SCHEMBL2171350

SCHEMBL2171350

O=C(CCc1ccccn1)N(c1ccc(F)cc1)c1cn[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CXCR2 P25025 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
SYK P43405 1/20 0.35
NAMPT P43490 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL2172302 0.70 HSD11B1 (0.38) RAB9AMAPTHTTALDH1A1KMT2A
SCHEMBL2171361 0.69 ALDH1A1 (0.40) ALDH1A1POLBGAA
SCHEMBL2169501 0.68 POLB (0.36) RAB9ASMN1; SMN2MAPTHTTCYP2C19
SCHEMBL2170751 0.68 OPRM1 (0.38) SMN1; SMN2HTTPOLBGAANPC1
SCHEMBL2169321 0.68 ROCK2 (0.51) RAB9ASMN1; SMN2KDM4EMAPTHTT
Hydrochloric Acid SCHEMBL9701760 0.68 RAB9A (0.70) RAB9ASMN1; SMN2KDM4EMAPTHTT
SCHEMBL2169266 0.67 HTT (0.41) RAB9ASMN1; SMN2KDM4EMAPTHTT
SCHEMBL26319974 0.66 CYP1A2 (0.51) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL2170189 0.66 ROCK1 (0.36) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL895535 0.65 HIF1A (0.49) RAB9ASMN1; SMN2KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RAB9A 3531/4885SMN1; SMN2 4583/4885KDM4E 2314/4885

“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.