SCHEMBL17816986

SCHEMBL17816986

CCCCCCCCCCCCCCCCNC(=O)c1ccc(OC)c(I)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.65
SMPD1 P17405 5/20 0.61
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NAAA Q02083 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CNR2 P34972 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL3880413 0.88 POLB (0.76) MGLLSMPD1POLBMEN1KMT2A
SCHEMBL11246226 0.88 POLB (0.76) MGLLSMPD1POLBMEN1KMT2A
SCHEMBL11240645 0.88 POLB (0.76) MGLLSMPD1POLBMEN1KMT2A
SCHEMBL931440 0.86 POLB (0.73) MGLLSMPD1POLBNPC1RAB9A
SCHEMBL2800438 0.83 SMPD1 (0.62) MGLLSMPD1POLBL3MBTL1MEN1
SCHEMBL598032 0.83 SMPD1 (0.62) MGLLSMPD1POLBL3MBTL1MEN1
SCHEMBL10958244 0.83 SMPD1 (0.62) MGLLSMPD1POLBL3MBTL1MEN1
SCHEMBL6356934 0.82 HDAC3 (0.74) MGLLSMPD1POLBMEN1KMT2A
SCHEMBL11761148 0.82 POLB (0.84) SMPD1POLBMEN1KMT2ANPC1
SCHEMBL1042188 0.81 SMPD1 (0.60) SMPD1POLBMEN1KMT2ACNR2

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 MGLL 1342/4885SMPD1 182/4885POLB 4272/4885

“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.