SCHEMBL3202024

SCHEMBL3202024

O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(OCc2ccccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3198444 0.88 GLA (0.54) KMT2ARAB9ANPC1NR4A2KDM4E
SCHEMBL3180761 0.83 GRM5 (0.59) KMT2AALDH1A1SMN1; SMN2MEN1CYP3A4
SCHEMBL3186963 0.83 KMT2A (0.48) KMT2ANR4A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3186757 0.79 MEN1 (0.60) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL3187762 0.78 TSHR (0.51) KMT2AMEN1CYP3A4TSHRCYP2C19
SCHEMBL13841525 0.77 KMT2A (0.60) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18827744 0.77 KMT2A (0.60) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18827743 0.77 KMT2A (0.60) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4592297 0.76 CA1 (0.60) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL3189633 0.76 CA1 (0.60) KDM4EALDH1A1MAPTCYP3A4TSHR

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
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — 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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KMT2A 1756/4885RAB9A 3608/4885NPC1 2951/4885

“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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