SCHEMBL10772463

SCHEMBL10772463

CC(C(N)=O)c1cccnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 2/20 0.40
EPHX1 P07099 2/20 0.36
CYP3A4 P08684 1/20 0.36
FFAR2 O15552 1/20 0.35
GOT1 P17174 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SLC6A9 P48067 1/20 0.33
CXCL8 P10145 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SARM1 Q6SZW1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
SIRT4 Q9Y6E7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL26121179 0.79 CYP1A2 (0.45) P2RX7CYP1A2FFAR2GOT1CTDSP1
SCHEMBL30556889 0.79 CYP1A2 (0.45) P2RX7CYP1A2FFAR2GOT1CTDSP1
SCHEMBL2436106 0.77 P2RX7 (0.41) P2RX7CYP1A2EPHX1GOT1CTDSP1
SCHEMBL626825 0.76 CYP1A2 (0.60) CYP1A2CYP3A4LMNA
SCHEMBL29627913 0.76 CYP1A2 (0.60) CYP1A2CYP3A4LMNA
Hydrochloric Acid SCHEMBL29368712 0.74 CYP1A2 (0.58) CYP1A2CYP3A4LMNA
SCHEMBL28748 0.74
SCHEMBL4417042 0.74
SCHEMBL6241867 0.74
SCHEMBL4788419 0.74 HTT (0.47) P2RX7CYP1A2EPHX1SLC6A9

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
US-11254703-B2 Therapeutically active steroidal derivatives FORENDO PHARMA LTD (FI) 2022-02-22 US disclosed
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2018-05-31 US disclosed
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP 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 (2 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-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 P2RX7 3127/4885CYP1A2 1768/4885EPHX1 1662/4885
US-11254703-B2 Therapeutically active steroidal derivatives HSD17B11, NR5A1, CYP17A1 P2RX7 3482/4885CYP1A2 61/4885EPHX1 286/4885

“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.