SCHEMBL5202335

SCHEMBL5202335

COC(=O)c1ccc(-c2nc(-c3ccccc3)n(C)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.67
NR1H3 Q13133 5/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
KDM4C Q9H3R0 1/20 0.52
ALDH1A1 P00352 7/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A3 P47895 2/20 0.50
PDE5A O76074 1/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ALDH1A2 O94788 1/20 0.50
HSD17B2 P37059 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
TNKS O95271 1/20 0.48
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48

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
SCHEMBL28557870 0.88 NR1H2 (0.50) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL5202967 0.85 NR1H3 (0.75) NR1H2NR1H3NPC1RAB9AKDM4C
SCHEMBL822566 0.82 NR1H3 (1.00) NR1H2NR1H3NPC1RAB9AKDM4C
SCHEMBL17279679 0.80 NR1H2 (0.65) NR1H2NR1H3NPC1RAB9AKDM4C
SCHEMBL22307340 0.80 NR1H2 (0.65) NR1H2NR1H3NPC1RAB9AKDM4C
SCHEMBL22122026 0.78 ALDH1A1 (0.49) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9049556 0.77 MAPT (0.43) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL25439893 0.77 TSHR (0.64) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1105491 0.77 TSHR (0.75) RAB9AALDH1A1HPGDSMN1; SMN2ALDH1A3
SCHEMBL11555265 0.76 NR1H3 (1.00) NR1H2NR1H3NPC1RAB9AKDM4C

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-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG NR1H2 10/4885NR1H3 11/4885NPC1 828/4885

“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.