SCHEMBL3762817

SCHEMBL3762817

N=C(N)SCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 4/20 0.40
HRH4 Q9H3N8 2/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NOS2 P35228 4/20 0.37
NOS1 P29475 4/20 0.37
CYP2C19 P33261 4/20 0.37
NOS3 P29474 3/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX5 P09917 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 3/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL11451288 0.71 EPHX1 (0.37) EPHX1CYP1A2ALDH1A1ALOX5CYP3A4
SCHEMBL7600176 0.71 CYP1A2 (0.41) EPHX1CYP1A2ALOX5
SCHEMBL17942326 0.71 CYP2C19 (0.38) TSHRALDH1A1CYP2C19POLB
SCHEMBL9755482 0.70
SCHEMBL8314139 0.69 NOS2 (0.42) EPHX1NOS2ALOX5
SCHEMBL20402874 0.69 NOS2 (0.42) EPHX1NOS2ALOX5
SCHEMBL11451289 0.68 EPHX1 (0.35) EPHX1ALDH1A1CYP3A4
SCHEMBL5641934 0.68 EPHX1 (0.43) EPHX1ALOX5
SCHEMBL22823958 0.67
SCHEMBL14008348 0.67 NOS2 (0.44) CYP1A2HRH4ALDH1A1NOS2LMNA

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-9925177-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2018-03-27 US disclosed
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2016-08-25 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO disclosed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 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-20060241185-A1 Antibiotics targeting MreB SMC4, INCENP, DDB1 EPHX1 2923/4885CYP1A2 2380/4885HRH4 1887/4885
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 EPHX1 3460/4885CYP1A2 4403/4885HRH4 1185/4885

“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.