SCHEMBL18776168

SCHEMBL18776168

COc1ccc(CSc2nc(C(C)=O)cn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43

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
SCHEMBL18776164 0.90 PTGDR2 (0.51) DAOPTGDR2KDM4ETSHRLMNA
SCHEMBL18785383 0.85 GABRA2 (0.49) DAOPTGDR2KDM4ETSHRLMNA
SCHEMBL20759378 0.78 DAO (0.51) DAOPTGDR2TSHRLMNAMMP13
SCHEMBL18776165 0.75 LMNA (0.50) DAOPTGDR2LMNAMMP13FFAR1
SCHEMBL20759253 0.75 DAO (0.53) DAOPTGDR2TSHRLMNAMMP13
SCHEMBL8446039 0.70 ALDH1A1 (0.70) KDM4ETSHRLMNANPC1RAB9A
SCHEMBL10596953 0.69 DAO (0.50) DAOPTGDR2KDM4ETSHRHDAC3
SCHEMBL1602886 0.69 MEN1 (0.57) HDAC1LMNANPC1RAB9AKMT2A
SCHEMBL10595807 0.68 DAO (0.49) DAOPTGDR2KDM4ETSHRFFAR1
SCHEMBL11698478 0.68 APP (0.62) DAOHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 — — 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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY DAO 517/4885PTGDR2 1435/4885KDM4E 3411/4885

“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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