SCHEMBL15425354

SCHEMBL15425354

Cc1cc(OC2CCCCC2)c2c3c(sc2n1)CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 3/20 0.41
NPC1 O15118 5/20 0.40
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPY1R P25929 1/20 0.40
CDKN1A P38936 2/20 0.39
OPRK1 P41145 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL15425351 0.81 CDKN1A (0.52) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL15236250 0.77 PRKCI (0.46) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL15425333 0.75 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL15425328 0.70 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL10343504 0.70 ALDH1A1 (0.60) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL10250441 0.70 RAB9A (0.53) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL10286463 0.69 PDE4B (0.36) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL15425340 0.68 KMT2A (0.44) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL15425345 0.68 MEN1 (0.53) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL15115630 0.68 ALDH1A1 (0.64) LMNAALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002256-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-01-07 US disclosed
US-9067948-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-06-30 US disclosed
US-20140018357-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2014-01-16 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-20160002256-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK4, IRAK1 SMN1; SMN2 2663/4885LMNA 1757/4885ALDH1A1 3406/4885
US-20140018357-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK4, IRAK1 SMN1; SMN2 2663/4885LMNA 1757/4885ALDH1A1 3406/4885

“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.