SCHEMBL19228847

SCHEMBL19228847

Cc1ccccc1C(=O)Nc1cnc(-c2cc(OC3CC3)ccc2Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ IL2 P60568 1/20 0.45
▸ STIM1 Q13586 1/20 0.43
▸ ORAI1 Q96D31 1/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PNLIP P16233 1/20 0.42
▸ GRM4 Q14833 1/20 0.40
▸ GRM5 P41594 7/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTBP1 P26599 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
SCHEMBL13727818 0.89 KDM1A (0.40) IL2STIM1ORAI1ORAI2GRM5
Hydrochloric Acid SCHEMBL13727702 0.88 KDM1A (0.40) IL2STIM1ORAI1ORAI2GRM5
SCHEMBL13729245 0.85 GRM5 (0.42) IL2STIM1ORAI1ORAI2GRM5
SCHEMBL13728868 0.85 ABL1 (0.42) IL2STIM1ORAI1ORAI2GRM5
SCHEMBL13838376 0.84 STIM1 (0.41) NPC1RAB9AIL2STIM1ORAI1
SCHEMBL13838508 0.84 GRM5 (0.36) IL2STIM1ORAI1ORAI2GRM5
SCHEMBL13727607 0.81 IL2 (0.46) IL2STIM1ORAI1ORAI2GRM5
SCHEMBL13838380 0.81 GRM5 (0.45) NPC1RAB9AIL2STIM1ORAI1
SCHEMBL13727394 0.80 IL2 (0.46) IL2ABL1
SCHEMBL13838382 0.80 GRM5 (0.45) NPC1RAB9AIL2STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — 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-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 NPC1 206/4885RAB9A 1719/4885ALOX15 570/4885

“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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