SCHEMBL4549641

SCHEMBL4549641

C[n+]1c2cc(C(=O)O)ccc2n2c1n1c3ccc(C(=O)O)cc3nc1n1c3ccc(C(=O)O)cc3[n+](C)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.42
HCAR3 P49019 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FGFR1 P11362 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
SCHEMBL4549638 0.95 HSD17B10 (0.40) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL4549639 0.88 TDP1 (0.39) HSD17B10HTTHCAR3SMN1; SMN2NPC1
SCHEMBL4549640 0.82 TDP1 (0.42) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL824442 0.80 HSD17B10 (0.53) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL824415 0.75 HSD17B10 (0.48) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL824420 0.75 HSD17B10 (0.48) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL18818916 0.70 FGFR1 (0.48) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL824437 0.68 TDP1 (0.49) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL1144927 0.64 HCAR3 (0.55) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2
SCHEMBL554569 0.64 HSD17B10 (0.64) HSD17B10HTTHCAR3L3MBTL1SMN1; SMN2

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-8895118-B2 Negative dispersion retardation plate and achromatic circular polarizer CRYSOPTIX K.K. (JP) 2014-11-25 US disclosed
US-20120113380-A1 NEGATIVE DISPERSION RETARDATION PLATE AND ACHROMATIC CIRCULAR POLARIZER CRYSOPTIX KK (JP) 2012-05-10 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP HSD17B10 2693/4885HTT 2511/4885HCAR3 3767/4885

“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.