SCHEMBL17596878

SCHEMBL17596878

COc1ccc(-c2c(CO)nnn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ P2RX7 Q99572 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL24570328 0.76 RAB9A (0.53) RAB9ASMN1; SMN2NPC1HTT
SCHEMBL14154661 0.74 ALDH1A1 (0.49) RAB9ALTA4HSMN1; SMN2NPC1LMNA
SCHEMBL17596865 0.73 BACE1 (0.42) MEN1KMT2ARAB9ALTA4HSMN1; SMN2
SCHEMBL25367639 0.73 MAOA (0.43) MEN1KMT2ARAB9ALTA4HNPC1
SCHEMBL3269975 0.72 KDM4E (0.49) RAB9ANPC1COMTKDM4E
SCHEMBL3272695 0.72 KDM4E (0.49) RAB9ANPC1COMTKDM4E
SCHEMBL14996606 0.68 GRM5 (0.48) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11962167 0.68 MEN1 (0.49) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL22831567 0.68 NOTUM (0.69) P2RX7RAB9ASMN1; SMN2LMNATSHR
SCHEMBL22256617 0.68 KMT2A (0.49) MEN1KMT2ARAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855230-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-01-02 — — US disclosed
US-9855230-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-01-02 — — US disclosed
US-20170304239-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 — — US disclosed
US-20170304239-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 — — US disclosed
US-20170304239-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-10-26 — — US disclosed
WO-2016040084-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — WO 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-20170304239-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H MEN1 4300/4885KMT2A 3450/4885P2RX7 4615/4885

“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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