SCHEMBL16775920

SCHEMBL16775920

O=C(Nc1ccncc1)N1CCCNc2ccc(-c3ccccc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL16776144 0.86 KMT2A (0.44) FAAHALDH1A1SMN1; SMN2RPS6KA2LMNA
SCHEMBL16776476 0.83 CA2 (0.43) —
SCHEMBL16776457 0.80 WDR5 (0.39) FAAHALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL16776329 0.79 FYN (0.42) FAAHPOLBSMN1; SMN2TRPV1LMNA
SCHEMBL16776344 0.78 CA2 (0.46) FAAHSMN1; SMN2TRPV1LMNAHTT
SCHEMBL16775918 0.78 SIRT2 (0.39) FAAHALDH1A1SMN1; SMN2RPS6KA3RPS6KA2
SCHEMBL16775910 0.78 TSHR (0.48) POLBRPS6KA3TSHR
SCHEMBL12653823 0.78 EPHX2 (0.39) FAAHEPHX2ALDH1A1HDAC1HDAC2
SCHEMBL12654644 0.77 GPR142 (0.50) FAAHALDH1A1HDAC1HDAC2POLB
SCHEMBL16776322 0.77 NPC1 (0.44) SMN1; SMN2TRPV1LMNA

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
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885EPHX2 4530/4885ALDH1A1 1726/4885

“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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