SCHEMBL17817474

SCHEMBL17817474

CCCCCCCCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.92
ALDH1A1 P00352 15/20 0.92
GAA P10253 12/20 0.92
MAPT P10636 10/20 0.92
GLA P06280 9/20 0.92
HTT P42858 5/20 0.92
LMNA P02545 4/20 0.92
L3MBTL1 Q9Y468 3/20 0.92
RAB9A P51151 1/20 0.92
HPGD P15428 12/20 0.79
SAE1 Q9UBE0 3/20 0.78
UBA2 Q9UBT2 3/20 0.78
NPSR1 Q6W5P4 5/20 0.73
ALOX15 P16050 4/20 0.67
HSD17B10 Q99714 4/20 0.67
CASP1 P29466 3/20 0.67
CASP7 P55210 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PKM P14618 2/20 0.67
USP2 O75604 1/20 0.67

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
SCHEMBL17817473 1.00 KDM4E (0.92) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL6981187 0.96 KDM4E (1.00) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL6981236 0.91 KDM4E (0.88) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256914 0.88 SAE1 (1.00) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256901 0.78 KDM4E (1.00) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256861 0.78 SAE1 (0.77) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256869 0.77 KDM4E (0.75) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256919 0.77 KDM4E (0.68) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL6981812 0.76 SAE1 (0.89) KDM4EALDH1A1GAAMAPTGLA
SCHEMBL15256904 0.73 KDM4E (0.89) KDM4EALDH1A1GAAMAPTGLA

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 KDM4E 812/4885ALDH1A1 999/4885GAA 1932/4885

“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.