SCHEMBL1335442

SCHEMBL1335442

COc1ccc(F)c(-c2cc(F)c(N)c(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
BACE1 P56817 6/20 0.40
CTSD P07339 3/20 0.40
APP P05067 1/20 0.38
FFAR1 O14842 2/20 0.38
RPS6KA3 P51812 2/20 0.38
KDM1A O60341 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AMY1A P0DUB6 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1337734 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1RPS6KA3KDM1APTGS2
SCHEMBL1337418 0.89 BACE1 (0.43) BACE1CTSDAPPFFAR1RPS6KA3
SCHEMBL1337807 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1RPS6KA3KDM1APTGS2
SCHEMBL1337048 0.78 CA1 (0.37) BACE1KDM1APTGS2MAPTRAB9A
SCHEMBL16290691 0.76 CYP17A1 (0.42) BACE1CTSDAPPFFAR1KDM1A
SCHEMBL16290745 0.75 FFAR1 (0.44) BACE1CTSDAPPFFAR1KDM1A
SCHEMBL1337232 0.75 CA1 (0.37) BACE1CTSDKDM1APTGS2CYP1A2
SCHEMBL16290879 0.74 PTGS2 (0.47) HSP90AA1HSP90AB1BACE1CTSDAPP
SCHEMBL1337591 0.74 FEN1 (0.42) BACE1PTGS2MAPT
SCHEMBL16290533 0.73 CYP1A1 (0.49) BACE1CTSDFFAR1KDM1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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 (2 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR HSP90AA1 547/4885HSP90AB1 479/4885BACE1 4104/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR HSP90AA1 547/4885HSP90AB1 479/4885BACE1 4104/4885

“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.