SCHEMBL21134669

SCHEMBL21134669

COc1c(CC(C)(C)c2ccccc(-c3ccccc3C#N)c2=O)cccc1-c1ccccc(C(C)(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPBWR1 P48145 1/20 0.31
BRD4 O60885 1/20 0.31
PKM P14618 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
GRM2 Q14416 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL17031796 0.79 CA1 (0.40) NAMPTALDH1A1TSHRARGRM2
SCHEMBL22967819 0.72 NAMPT (0.35) NAMPTNPC1RAB9APKMPGR
SCHEMBL18899007 0.72 NR3C1 (0.36) PGR
SCHEMBL18899008 0.72 KDM4E (0.34) ALDH1A1
SCHEMBL19968141 0.70 CA1 (0.39) ALDH1A1TSHRARGRM2
SCHEMBL18307747 0.68 GRM2 (0.43) NPC1RAB9AALDH1A1TSHRAR
SCHEMBL2953432 0.68 NAMPT (0.48) NAMPTTSHRPKMPGRAR
SCHEMBL19487718 0.67 CA1 (0.41) ALDH1A1TSHRAR
SCHEMBL19091158 0.67 DPP4 (0.34)
SCHEMBL17031804 0.66 AR (0.38) NPC1RAB9AALDH1A1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 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-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 NAMPT 2510/4885NPC1 2999/4885RAB9A 3082/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 NAMPT 2510/4885NPC1 2999/4885RAB9A 3082/4885

“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.