SCHEMBL19002780

SCHEMBL19002780

CSCCNC(=O)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ EPHX1 P07099 1/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CHRM1 P11229 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL18997256 0.80 SMN1; SMN2 (0.56) NAAASMN1; SMN2HSD17B10EPHX1KMT2A
SCHEMBL3184451 0.79 NAAA (0.66) NAAASMN1; SMN2HSD17B10EPHX1KMT2A
SCHEMBL19308745 0.79 NAAA (0.57) NAAASMN1; SMN2HSD17B10EPHX1KMT2A
SCHEMBL19523052 0.78 NAAA (0.56) NAAASMN1; SMN2HSD17B10EPHX1KMT2A
SCHEMBL18685664 0.78 TSHR (0.53) NAAASMN1; SMN2HSD17B10ALDH1A1EPHX1
SCHEMBL8140520 0.78 NAAA (0.70) NAAASMN1; SMN2HSD17B10ALDH1A1EPHX1
SCHEMBL13627850 0.77 HSD17B10 (0.45) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL10596699 0.76 NAAA (0.50) NAAASMN1; SMN2HSD17B10EPHX1KMT2A
SCHEMBL8690270 0.76 NAAA (0.73) NAAASMN1; SMN2HSD17B10ALDH1A1EPHX1
SCHEMBL517349 0.76 NAAA (0.73) NAAASMN1; SMN2HSD17B10ALDH1A1EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 — — EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 NAAA 3088/4885SMN1; SMN2 4331/4885HSD17B10 2132/4885

“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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