SCHEMBL10243537

SCHEMBL10243537

Cc1cc(C(F)(F)F)n2nc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.48
HSD17B10 Q99714 7/20 0.48
KDM4E B2RXH2 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 6/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NSD2 O96028 1/20 0.42
APP P05067 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL17350794 1.00 HPGD (0.48) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL10281417 0.76 HPGD (0.45) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL4212099 0.71 HPGD (0.70) HPGDHSD17B10KDM4ESMN1; SMN2RAB9A
SCHEMBL4206300 0.71 HPGD (0.69) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL4883654 0.71 KDM4E (0.64) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL17350877 0.70 KMT2A (0.53) HPGDHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10244150 0.70 KMT2A (0.53) HPGDHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4212072 0.70 HPGD (0.56) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL13779323 0.70 KDM4E (0.58) HPGDHSD17B10KDM4ESMN1; SMN2GAA
SCHEMBL16615024 0.69 HSD17B10 (0.70) HPGDHSD17B10KDM4ESMN1; SMN2GAA

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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 HPGD 154/4885HSD17B10 14/4885KDM4E 3260/4885

“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.