SCHEMBL2153286

SCHEMBL2153286

O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 1.00
ALDH1A1 P00352 7/20 0.74
HTT P42858 2/20 0.74
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.56

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
SCHEMBL12069269 0.90 ALOX5 (0.82) ALOX5ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL3902985 0.86 ALOX5 (0.75) ALOX5ALDH1A1HTTPOLBKMT2A
SCHEMBL30865951 0.84 ALOX5 (0.72) ALOX5ALDH1A1POLBKMT2A
SCHEMBL12069952 0.83 KMT2A (0.84) ALOX5ALDH1A1POLBKMT2AMAPT
SCHEMBL19226332 0.83 ALOX5 (0.71) ALOX5ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL12488830 0.83 ALOX5 (0.71) ALOX5ALDH1A1POLBKMT2A
SCHEMBL13836513 0.83 ALOX5 (0.72) ALOX5ALDH1A1POLBKMT2A
SCHEMBL11399076 0.82 ALOX5 (0.69) ALOX5ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL13836598 0.80 ALOX5 (0.67) ALOX5ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL14859480 0.79 ALDH1A1 (0.73) ALOX5ALDH1A1HTTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350217-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2019-07-16 US disclosed
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US disclosed
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2017-08-10 US disclosed
US-9648880-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2017-05-16 US disclosed
US-9648880-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2017-05-16 US disclosed
US-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-05-22 US disclosed
US-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-05-22 US disclosed
WO-2014039515-A2 ANTIFUNGAL AGENTS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-03-13 WO disclosed
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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 (4 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-20140142107-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 ALOX5 1862/4885ALDH1A1 1365/4885HTT 3624/4885
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 ALOX5 3758/4885ALDH1A1 797/4885HTT 2106/4885
US-20170224703-A1 ANTIFUNGAL AGENTS AND USES THEREOF DPM1, ERG28, SUCLG1 ALOX5 1862/4885ALDH1A1 1365/4885HTT 3624/4885
US-10350217-B2 Antifungal agents and uses thereof DPM1, ERG28, SUCLG1 ALOX5 1862/4885ALDH1A1 1365/4885HTT 3624/4885

“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.