SCHEMBL16598992

SCHEMBL16598992

O=C(c1csc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 1/20 0.67
HSD17B10 Q99714 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
MAOB P27338 1/20 0.59
MAPT P10636 6/20 0.59
NPSR1 Q6W5P4 6/20 0.59
ALDH1A1 P00352 7/20 0.58
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 3/20 0.54
NOD2 Q9HC29 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50

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
SCHEMBL31181986 0.83 HTT (0.74) HTTHPGDLMNAHSD17B10CASP1
SCHEMBL31181987 0.82 HTT (0.97) HTTHPGDLMNAHSD17B10CASP1
SCHEMBL1578043 0.78 KMT2A (0.47) HTTLMNAHSD17B10NPSR1ALDH1A1
SCHEMBL31182026 0.78 HPGD (0.74) HTTHPGDLMNAHSD17B10CASP1
Hydrochloric Acid SCHEMBL1781672 0.77 MEN1 (0.46) HTTLMNAHSD17B10NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1577927 0.76 ALDH1A1 (0.50) LMNAHSD17B10MAPTALDH1A1KMT2A
SCHEMBL15963298 0.76 HTT (0.70) HTTHPGDLMNAHSD17B10CASP1
SCHEMBL9661742 0.75 GFER (0.67) HTTHPGDMAOBMAPTNPSR1
SCHEMBL31350878 0.75 GFER (0.67) HTTHPGDMAOBMAPTNPSR1
SCHEMBL31350986 0.75 MAOB (1.00) HPGDMAOBMAPTNPSR1ALDH1A1

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
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS HTT 3033/4885HPGD 4503/4885LMNA 2951/4885

“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.