SCHEMBL2750425

SCHEMBL2750425

O=C(NCCO)C1CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL3987516 0.85 — —
SCHEMBL19301621 0.81 NAAA (0.52) LMNANAAAKMT2AEPHX1HSD17B10
SCHEMBL15739433 0.81 NAAA (0.56) LMNANAAAKMT2AEPHX1HSD17B10
SCHEMBL7976845 0.79 NAAA (0.60) LMNANAAAGNAI3GNAO1GNAI1
SCHEMBL61529 0.79 NAAA (0.59) LMNANAAAKMT2AEPHX1HSD17B10
SCHEMBL2750170 0.78 NAAA (0.39) LMNANAAAKMT2AEPHX1HSD17B10
SCHEMBL2485434 0.78 L3MBTL1 (0.46) LMNANAAAKMT2AHSD17B10ALDH1A1
SCHEMBL8443294 0.76 KMT2A (0.42) LMNANAAAKMT2AEPHX1GNAI3
SCHEMBL14327357 0.76 NAAA (0.43) LMNANAAAKMT2AEPHX1GNAI3
SCHEMBL16727379 0.76 NAAA (0.43) LMNANAAAKMT2AEPHX1GNAI3

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-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 — — EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 — — US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 — — 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-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 LMNA 3060/4885NAAA 1160/4885KMT2A 1652/4885

“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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