SCHEMBL10155940

SCHEMBL10155940

Nc1ccc(C(=O)N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MLYCD O95822 2/20 0.42
CRBN Q96SW2 1/20 0.42
GBA1 P04062 1/20 0.41
HSD11B1 P28845 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
SCHEMBL6822196 0.98 KDM4E (0.46) HPGDMEN1KMT2ATSHRPOLB
SCHEMBL24565654 0.87 EPHX2 (0.45) HPGDMEN1KMT2ATSHRKDM4E
SCHEMBL3402135 0.86 NR1H2 (0.52) MEN1KMT2ATSHRLMNA
SCHEMBL4287349 0.86 EPHX2 (0.48) HPGDTSHRKDM4EHTTMLYCD
SCHEMBL29959110 0.86 NR1H2 (0.52) MEN1KMT2ATSHRLMNA
SCHEMBL24566019 0.85 CRBN (0.42) TSHRPOLBGLAGAACRBN
SCHEMBL24566936 0.84 PIK3CA (0.48) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL24566097 0.83 HDAC3 (0.40) TSHRPOLBUSP2GLAGAA
SCHEMBL16047564 0.82 PIK3CA (0.51) HPGDMEN1KMT2ALMNAKDM4E
SCHEMBL31316989 0.82 PIK3CA (0.51) HPGDMEN1KMT2ALMNAKDM4E

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885MEN1 724/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885MEN1 724/4885KMT2A 103/4885

“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.