SCHEMBL2357449

SCHEMBL2357449

C1=C(c2csc(-c3ccccc3)n2)CCNC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
HTR2C P28335 4/20 0.57
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
AR P10275 1/20 0.49
SREBF2 Q12772 1/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP19A1 P11511 1/20 0.46
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2358010 0.89 SIGMAR1 (0.58) SIGMAR1HTR2CKDM4EKMT2AAR
SCHEMBL169395 0.76 SIGMAR1 (0.66) SIGMAR1HTR2CKDM4EKMT2ARAB9A
SCHEMBL415545 0.76 SIGMAR1 (1.00) SIGMAR1HTR2CKDM4EHTR2AHTR6
SCHEMBL2356544 0.75 KDM4E (0.50) KDM4EKMT2AARSREBF2RAB9A
SCHEMBL10696282 0.75 SIGMAR1 (0.42) SIGMAR1HTR2CALDH1A1LMNA
SCHEMBL7838514 0.75 SIGMAR1 (0.70) SIGMAR1HTR2CKDM4EHTR2AHTR6
Bromide SCHEMBL11385943 0.74 SIGMAR1 (0.96) SIGMAR1HTR2CKDM4EHTR2AHTR6
Hydrochloric Acid SCHEMBL446973 0.74 HTR2C (1.00) SIGMAR1HTR2CKDM4EHTR2AHTR6
SCHEMBL3899585 0.72 SIGMAR1 (0.92) SIGMAR1HTR2CKDM4EHTR2AHTR6
Hydrochloric Acid SCHEMBL3676212 0.72 SIGMAR1 (0.92) SIGMAR1HTR2CKDM4EHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I SIGMAR1 618/4885HTR2C 379/4885KDM4E 816/4885

“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.