SCHEMBL17307602

SCHEMBL17307602

O=C(Cl)NCCc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.55
SLC6A4 P31645 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.44
SLC6A5 Q9Y345 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSPA5 P11021 1/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 1/20 0.42

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
SCHEMBL10041803 0.84 MPO (0.53) MPOSLC6A4TAAR1AKR1B1CA12
SCHEMBL5309632 0.83 MPO (0.56) MPOSLC6A4TAAR1AKR1B1CA12
SCHEMBL1039416 0.81 MTNR1A (0.63) MPOTSHRHIF1AKDM4EHSD17B10
SCHEMBL5647430 0.80 MAPT (0.50) TAAR1KDM4EMTNR1A
SCHEMBL32665565 0.79 AANAT (0.60) MPOSLC6A4TAAR1AKR1B1CA12
SCHEMBL27586477 0.79 MTNR1A (0.52) MPOMTNR1A
SCHEMBL5306684 0.79 MTNR1A (0.52) MPOSLC6A4TAAR1AKR1B1MTNR1A
SCHEMBL1813320 0.79 RAB9A (0.60) MPOHIF1ASLC6A5MTNR1A
SCHEMBL21358996 0.77 MPO (0.50) MPOSLC6A4MTNR1A
SCHEMBL28789736 0.77 MTNR1A (0.51) MPOSLC6A4TAAR1TSHRMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 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 (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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX MPO 69/4885SLC6A4 4496/4885TAAR1 4521/4885

“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.