SCHEMBL10064299

SCHEMBL10064299

COC(=O)c1ccc2ccc(C#N)c(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALPL P05186 1/20 0.40
PARP1 P09874 1/20 0.40
MAPK14 Q16539 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.38
NR2F2 P24468 1/20 0.38
MCL1 Q07820 1/20 0.38
KLF5 Q13887 1/20 0.38
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL10063842 0.87 NPC1 (0.44) IDH1MAPTLMNASMN1; SMN2NPC1
SCHEMBL10064015 0.87 MAPT (0.41) IDH1MAPTLMNASMN1; SMN2NPC1
SCHEMBL10064307 0.86 SLC22A12 (0.39) LMNAHPGDKDM4EMEN1KMT2A
SCHEMBL10064208 0.85 HPGD (0.43) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL10063843 0.84 CYP11B1 (0.41) IDH1PARP1
SCHEMBL618435 0.82 ALDH1A1 (0.40) IDH1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10063654 0.81 CYP11B2 (0.40) IDH1HPGDGAALCK
SCHEMBL10064302 0.80 HTR5A (0.55)
SCHEMBL10064016 0.80 ABL1 (0.41) MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL16502482 0.80 PARP1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A

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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A IDH1 3290/4885MAPT 310/4885LMNA 2671/4885

“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.