SCHEMBL13362016

SCHEMBL13362016

CCc1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.64
MAPT P10636 11/20 0.64
MEN1 O00255 10/20 0.64
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 4/20 0.64
USP2 O75604 1/20 0.64
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
ALOX15 P16050 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 5/20 0.60
TP53 P04637 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.58
POLB P06746 1/20 0.56
F2 P00734 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL11970897 0.87 MAPT (0.61) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL10289639 0.87 MAPT (0.55) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL13629283 0.84 MAPT (0.61) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL11955042 0.83 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL13227042 0.81 ALOX15 (0.62) KMT2AMAPTMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11841209 0.80 KMT2A (0.64) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL2515756 0.79 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL29018527 0.79 KMT2A (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL3029561 0.79 L3MBTL1 (0.67) ALDH1A1KDM4EUSP2ALOX15HSD17B10
SCHEMBL60525 0.78 KMT2A (0.69) KMT2AMAPTMEN1ALDH1A1KDM4E

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-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 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-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 KMT2A 4223/4885MAPT 4528/4885MEN1 4672/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885MAPT 4484/4885MEN1 4687/4885

“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.