SCHEMBL18125281

SCHEMBL18125281

Cc1cccc(-c2c(C#Cc3nccs3)cccc2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 3/20 0.43
▸ GRM5 P41594 1/20 0.40
▸ KMO O15229 2/20 0.39
▸ HAO1 Q9UJM8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL16731647 0.86 DHODH (0.48) CTSAHAO1NPC1MAPTRAB9A
SCHEMBL16731649 0.84 GRM5 (0.43) GRM5HAO1KDM4ENPC1RAB9A
SCHEMBL16731663 0.83 NPC1 (0.40) GRM5HAO1NPC1MAPTRAB9A
SCHEMBL16731648 0.81 HSD11B1 (0.39) GRM5HAO1KDM4ENPC1MAPT
SCHEMBL16731646 0.79 SYK (0.38) CTSAGRM5HAO1
SCHEMBL16731670 0.79 GRM5 (0.40) GRM5HAO1MAPTCYP1A2CNR1
SCHEMBL16731645 0.76 GRM5 (0.48) GRM5HAO1KDM4ECYP1A2ALDH1A1
SCHEMBL6311520 0.70 GRM5 (0.65) GRM5HAO1
SCHEMBL1339482 0.68 AKR1C2 (0.50) CTSAKMOKDM4ENPC1POLB
SCHEMBL18227576 0.67 NPC1 (0.45) KDM4ENPC1RAB9AMEN1KMT2A

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 CTSA 1669/4885GRM5 3154/4885KMO 1149/4885
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML CTSA 1676/4885GRM5 3225/4885KMO 1416/4885

“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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