SCHEMBL20012331

SCHEMBL20012331

N=CC(=O)c1sccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
GSK3B P49841 1/20 0.32
PTPRC P08575 1/20 0.31
BCAT2 O15382 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCNB2 O95067 1/20 0.30

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
SCHEMBL18229251 0.76 ALDH1A1 (0.39) POLBMAPTKMT2AALDH1A1HTT
SCHEMBL617606 0.74
SCHEMBL17629366 0.72
Ammonia Solution, Strong SCHEMBL30637684 0.72 PTPN2 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL15693485 0.72
SCHEMBL617309 0.72
SCHEMBL16741107 0.69 ALDH1A1 (0.39) POLBMAPTKMT2AALDH1A1HTT
SCHEMBL13919867 0.68 MAPT (0.56) POLBMAPTKMT2AALDH1A1MEN1
SCHEMBL27951460 0.67 MEN1 (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL17479404 0.65 MAPT (0.40) MAPTKMT2AALDH1A1MEN1NPC1

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-20180086749-A1 INHIBITORS OF VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 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-20180086749-A1 INHIBITORS OF VIRUSES ZC3HAV1, SARNP, SARS1 POLB 2435/4885MAPT 284/4885KMT2A 2853/4885

“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.