SCHEMBL16797138

SCHEMBL16797138

CCOC(=O)c1ccc(NNC(=O)c2cccc(F)c2N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.46
▸ POLB P06746 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PTGER4 P35408 3/20 0.45
▸ TYK2 P29597 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL16797142 0.88 ALDH1A1 (0.51) GAAPOLBTDP1SMN1; SMN2KDM4E
SCHEMBL28098678 0.82 GAA (0.46) GAAPOLBTDP1SMN1; SMN2KDM4E
SCHEMBL8758926 0.75 ALDH1A1 (0.60) GAAPOLBTDP1SMN1; SMN2KDM4E
SCHEMBL25791893 0.74 CA1 (0.51) GAAPOLBSMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL16797134 0.73 PTGER4 (0.50) GAAPOLBSMN1; SMN2KDM4ELMNA
SCHEMBL8315129 0.70 WDR5 (0.52) GAAPOLBTDP1SMN1; SMN2KDM4E
SCHEMBL826800 0.70 LMNA (0.59) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL16797151 0.69 ALDH1A1 (0.58) GAASMN1; SMN2LMNARAB9ANPC1
SCHEMBL1147208 0.68 CA12 (0.61) POLBSMN1; SMN2KDM4ELMNARAB9A
SCHEMBL29823214 0.68 CA12 (0.61) POLBSMN1; SMN2KDM4ELMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 — — EP disclosed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 — — US disclosed
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-11-10 — — US disclosed
EP-3080090-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2016-10-19 — — EP disclosed
WO-2015087234-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-06-18 — — 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-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS RORA, RORB, RORC GAA 4445/4885POLB 2381/4885TDP1 4119/4885

“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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