SCHEMBL21130425

SCHEMBL21130425

Cc1c(CO)cccc1-c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.54
▸ PDCD1 Q15116 3/20 0.54
▸ AR P10275 9/20 0.49
▸ PTGS2 P35354 1/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL26613562 0.85 PTGS2 (0.48) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL21130590 0.81 PDCD1 (0.53) CD274PDCD1NPC1RAB9ASMN1; SMN2
SCHEMBL29986356 0.79 AR (0.59) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL29986008 0.78 AR (0.57) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL26740722 0.76 NPC1 (0.57) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9641658 0.76 AR (0.55) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL21130430 0.75 CD274 (0.53) CD274PDCD1NPC1RAB9AMEN1
SCHEMBL16245269 0.74 PDCD1 (0.76) CD274PDCD1MEN1KMT2AS1PR1
SCHEMBL240495 0.73 AR (0.55) ARPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL4788772 0.73 AR (0.64) ARPTGS2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689640-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-01-04 — — CN disclosed
EP-3481815-B1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2020-03-17 — — US disclosed
US-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-20 — — 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-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS CD74, CD2, HAVCR2 CD274 30/4885PDCD1 46/4885AR 2370/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 CD274 30/4885PDCD1 46/4885AR 2370/4885

“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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