SCHEMBL17816993

SCHEMBL17816993

CCCCCCCCCCCCCCCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.69
▸ TP53 P04637 3/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ADORA2B P29275 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CYP1A2 P05177 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ THRB P10828 1/20 0.58
▸ TRPA1 O75762 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL12260311 1.00 RXFP1 (0.69) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260302 0.99 RXFP1 (0.71) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260301 0.96 RXFP1 (0.71) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL17744968 0.93 RXFP1 (0.75) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL5462777 0.90 RXFP1 (0.78) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL19919963 0.90 RXFP1 (0.68) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260506 0.88 RXFP1 (0.69) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260543 0.88 RXFP1 (0.69) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260312 0.88 RXFP1 (0.66) RXFP1TP53MAPK1KMT2AMEN1
SCHEMBL12260317 0.88 RXFP1 (0.66) RXFP1TP53MAPK1KMT2AMEN1

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 — — EP disclosed
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 RXFP1 219/4885TP53 2836/4885MAPK1 2188/4885

“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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