SCHEMBL2214992

SCHEMBL2214992

CC1CC(NC2=NCCS2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.34
PKM P14618 1/20 0.34
KLF5 Q13887 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL1993959 0.73 LMNA (0.49) POLBLMNA
SCHEMBL12253328 0.71 POLB (0.42) POLBLMNATAAR1NPC1RAB9A
SCHEMBL2215859 0.71 ADRA2A (0.56) TAAR1CYP1A2
SCHEMBL2006482 0.70 RAB9A (0.42) POLBLMNATAAR1NPC1RAB9A
SCHEMBL12437171 0.70 RAB9A (0.42) POLBLMNATAAR1NPC1RAB9A
SCHEMBL13080425 0.68 SLC6A2 (0.53) NPC1RAB9ATP53MAPK1CYP1A2
SCHEMBL13080424 0.68 SLC6A2 (0.53) NPC1RAB9ATP53MAPK1CYP1A2
SCHEMBL16421280 0.68 SLC6A2 (0.53) NPC1RAB9ATP53MAPK1CYP1A2
SCHEMBL2797750 0.68 LMNA (0.43) POLBLMNATAAR1NPC1RAB9A
SCHEMBL4667034 0.67 POLB (0.50) POLBLMNATAAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101855213-B Therapeutic compounds ALLERGAN INC 2014-09-10 CN disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
CN-101855213-A Therapeutic compounds ALLERGAN INC 2010-10-06 CN disclosed
EP-2188261-A1 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2010-05-26 EP disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO 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 (1 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 POLB 2665/4885LMNA 2315/4885TAAR1 4833/4885

“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.