SCHEMBL19009141

SCHEMBL19009141

Cc1ccc(-c2nnc(-c3ccc(Br)cc3)nn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
AHR P35869 1/20 0.49
ATM Q13315 1/20 0.47
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
APP P05067 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 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
SCHEMBL23665406 0.87 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17445274 0.87 ATM (0.56) ALDH1A1AHRATMNPC1RAB9A
SCHEMBL15315868 0.86 ALDH1A1 (0.62) ALDH1A1AHRATMNPC1RAB9A
SCHEMBL24340715 0.86 ATM (0.47) ALDH1A1AHRATMNPC1RAB9A
SCHEMBL12129841 0.86 ALDH1A1 (0.62) ALDH1A1AHRATMNPC1RAB9A
SCHEMBL23183227 0.84 ALDH1A1 (0.59) ALDH1A1AHRNPC1RAB9AAPP
SCHEMBL260551 0.82 ALDH1A1 (0.81) ALDH1A1AHRNPC1RAB9AAPP
SCHEMBL17072627 0.80 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL808 0.79
SCHEMBL24940527 0.79 ALDH1A1 (0.54) ALDH1A1AHRNPC1RAB9AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174826-A1 DONOR-ACCEPTOR POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-22 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-20170174826-A1 DONOR-ACCEPTOR POLYMERS TST, ETFA, SQOR ALDH1A1 1027/4885AHR 2288/4885ATM 1026/4885

“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.