SCHEMBL19129488

SCHEMBL19129488

CC(C)OCc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.43
NAAA Q02083 1/20 0.43
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BMP1 P13497 1/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 2/20 0.37
HPD P32754 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL8969097 0.85 APLNR (0.40) PYCR1NAAANPC1RAB9ABMP1
SCHEMBL12936612 0.81 IDO1 (0.58) PTPN1IDO1AGXT
SCHEMBL12936610 0.80 IDO1 (0.39) PTPN1IDO1AGXT
SCHEMBL29506818 0.79 PYCR1 (0.46) PYCR1NAAANPC1RAB9AIDO1
SCHEMBL582358 0.79 PYCR1 (0.46) PYCR1NAAANPC1RAB9AIDO1
SCHEMBL27686599 0.79 NAAA (0.48) PYCR1NAAANPC1RAB9AIDO1
SCHEMBL12936616 0.79 IDO1 (0.38) IDO1AGXTHPD
SCHEMBL27358340 0.79 IDO1 (0.38) NAAAPTPN1IDO1AGXTMEN1
SCHEMBL2093599 0.76 PYCR1 (0.44) PYCR1NAAANPC1RAB9AIDO1
SCHEMBL12964490 0.76 IDO1 (0.61) IDO1AGXT

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-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 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-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME HSPH1, HBZ, PITHD1 PYCR1 2129/4885NAAA 3456/4885PTPN1 3448/4885

“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.