SCHEMBL7923355

SCHEMBL7923355

COC(=O)[C@@H](Cc1c(C(=O)c2ccc3c(c2)OCO3)[nH]c2ccccc12)NC(=O)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HTT P42858 4/20 0.48
▸ TAS1R3 Q7RTX0 5/20 0.46
▸ TAS1R1 Q7RTX1 5/20 0.46
▸ EDNRA P25101 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX12 P18054 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
SCHEMBL7929844 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHTTTAS1R3TAS1R1
SCHEMBL15384066 0.79 ALDH1A1 (0.57) ALDH1A1HPGDHTTMAPTUSP2
SCHEMBL23095240 0.76 HTT (0.53) ALDH1A1HPGDHTTMAPTUSP2
SCHEMBL30669506 0.75 KMT2A (0.48) ALDH1A1HPGDHTTMAPTTP53
SCHEMBL19194019 0.75 EDNRA (0.48) ALDH1A1HPGDHTTEDNRAMAPT
SCHEMBL1921332 0.73 NPC1 (0.62) TAS1R3TAS1R1MAPK1MEN1KMT2A
SCHEMBL1921333 0.73 NPC1 (0.62) TAS1R3TAS1R1MAPK1MEN1KMT2A
SCHEMBL13606614 0.73 NPC1 (0.62) TAS1R3TAS1R1MAPK1MEN1KMT2A
SCHEMBL3846689 0.71 SMN1; SMN2 (0.58) HTTMAPTMAPK1TP53MEN1
SCHEMBL13606613 0.71 SMN1; SMN2 (0.58) HTTMAPTMAPK1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268831-B2 Compounds derived from 2-(3-methylenedioxy)-benzoyl indol BIOLAB SANUS FARMACEUTICA LTDA. (BR) 2012-09-18 — — US disclosed
US-20110195976-A1 COMPOUNDS DERIVED FROM 2-(3-METHYLENEDIOXY)-BENZOYL INDOL BIOLAB SANUS FARMACEUTICA LTDA. (BR) 2011-08-11 — — US disclosed
WO-2010037190-A1 COMPOUNDS DERIVED FROM 2-(3-METHYLENEDIOXY)-BENZOYL INDOL BIOLAB SANUS FARMACÊUTICA LTDA. (BR) 2010-04-08 — — 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-20110195976-A1 COMPOUNDS DERIVED FROM 2-(3-METHYLENEDIOXY)-BENZOYL INDOL HTR5A, IDO1, IDO2 ALDH1A1 708/4885HPGD 316/4885HTT 1884/4885

“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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