SCHEMBL16200090

SCHEMBL16200090

COc1cc(C)c(N)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.69
NPC1 O15118 2/20 0.63
POLB P06746 2/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CD44 P16070 1/20 0.48
TAAR1 Q96RJ0 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB4A P04350 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
SCHEMBL5253484 0.91 NPC1 (0.69) GAANPC1POLBGFERMEN1
SCHEMBL5951825 0.84 GAA (0.78) GAANPC1POLBRAB9ACD44
SCHEMBL29739694 0.83 GAA (0.69) GAANPC1POLBGFERMEN1
SCHEMBL5438387 0.83 GAA (0.69) GAANPC1POLBGFERMEN1
Hydrochloric Acid SCHEMBL1401287 0.82 GAA (0.75) GAANPC1POLBMEN1RAB9A
SCHEMBL92047 0.82 GAA (1.00) GAANPC1POLBMEN1KMT2A
SCHEMBL9116148 0.82 NPC1 (0.83) GAANPC1POLBRAB9ACD44
SCHEMBL1225409 0.81 POLB (0.61) GAANPC1POLBGFERMEN1
SCHEMBL383766 0.81 GAA (0.54) GAANPC1POLBMEN1RAB9A
SCHEMBL29666518 0.81 POLB (0.61) GAANPC1POLBGFERMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8796247-B2 Indole derivative, and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-01-16 US disclosed
EP-2669272-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
EP-2669271-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL COMPANY, LIMITED (JP) 2013-11-28 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-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GAA 4791/4885NPC1 2166/4885POLB 4269/4885
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GAA 4780/4885NPC1 1715/4885POLB 4137/4885

“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.