SCHEMBL18125291

SCHEMBL18125291

Cc1cc(-c2c(C#Cc3cccc(O)c3)cccc2C(=O)O)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MYC P01106 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL16719515 0.87 KDM4E (0.40) FFAR1NPC1RAB9ACA12CA1
SCHEMBL16720503 0.85 POLB (0.41) FFAR1NPC1RAB9ACA12CA1
SCHEMBL16720126 0.84 FFAR1 (0.44) FFAR1NPC1RAB9ACA12CA1
SCHEMBL16720454 0.80 PARP1 (0.46) FFAR1NPC1RAB9ACA12CA1
SCHEMBL18125290 0.78 GRM5 (0.37) FFAR1NPC1RAB9ACA12CA1
SCHEMBL16719723 0.78 HSD11B1 (0.37) FFAR1CA12CA1CA2CA9
SCHEMBL16720112 0.77 FFAR1 (0.43) FFAR1NPC1RAB9AHNF4AKDM4E
SCHEMBL16719517 0.77 FABP4 (0.47) NPC1RAB9AALDH1A1CYP3A4KDM4E
SCHEMBL16720514 0.77 GFER (0.42) FFAR1NPC1HNF4AGFERPTPN1
SCHEMBL16720113 0.77 GRM5 (0.40) FFAR1NPC1RAB9ACA12CA1

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-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-9856214-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-01-02 — — US disclosed
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 — — 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-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE MCM5, EBNA1BP2, MLLT1 FFAR1 2659/4885NPC1 515/4885RAB9A 3513/4885
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML FFAR1 2756/4885NPC1 706/4885RAB9A 3390/4885

“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.

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