SCHEMBL20183802

SCHEMBL20183802

COC(=O)c1ccc(-c2ccc(CNc3ccccc3)cc2)cc1.COC(=O)c1ccc(-c2ccc(CNc3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.80
CA2 P00918 3/20 0.80
HIF1A Q16665 3/20 0.59
FFAR1 O14842 4/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
PTPN1 P18031 1/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
AGTR1 P30556 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FFAR4 Q5NUL3 1/20 0.55
HDAC1 Q13547 1/20 0.54
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL17158407 1.00 CA1 (0.80) CA1CA2HIF1AFFAR1RAB9A
SCHEMBL6120695 0.95 CA1 (0.88) CA1CA2HIF1AFFAR1RAB9A
SCHEMBL18415526 0.89 CA1 (1.00) CA1CA2HIF1AFFAR1RAB9A
SCHEMBL17158376 0.88 HIF1A (0.64) CA1CA2HIF1AFFAR1RAB9A
SCHEMBL5943837 0.88 CA1 (0.70) CA1CA2HIF1AFFAR1RAB9A
SCHEMBL13934091 0.87 CA1 (0.87) CA1CA2HIF1ARAB9AALDH1A1
SCHEMBL20183470 0.85 CA1 (0.69) CA1CA2RAB9AALDH1A1MEN1
SCHEMBL15761771 0.85 CA1 (0.70) CA1CA2RAB9AMEN1KMT2A
SCHEMBL20183881 0.84 CA1 (0.57) CA1CA2HIF1ARAB9AALDH1A1
SCHEMBL11256877 0.83 MAPT (0.68) CA1CA2FFAR1RAB9AALDH1A1

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
EP-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP 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-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R CA1 3743/4885CA2 1351/4885HIF1A 3071/4885

“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.