SCHEMBL17624267

SCHEMBL17624267

NCc1cnnn1-c1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KIT P10721 1/20 0.35
▸ IDH2 P48735 3/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TRPV1 Q8NER1 3/20 0.34
▸ KCNJ6 P48051 2/20 0.34
▸ KCNJ5 P48544 2/20 0.34
▸ KCNJ3 P48549 2/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ HTT P42858 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
SCHEMBL19699098 0.93 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL19699099 0.90 HSD11B1 (0.34) ALDH1A1MEN1KMT2AMAPTCA9
SCHEMBL19706250 0.89 KLKB1 (0.32) KLKB1
SCHEMBL17624573 0.89 MAPT (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL17618875 0.86 KMT2A (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16238555 0.86 NOTUM (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL17618783 0.85 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16250003 0.84 CA2 (0.42) ALDH1A1MEN1KMT2AMAPTIDH2
Hydrochloric Acid SCHEMBL16238420 0.83 CA2 (0.42) ALDH1A1MEN1KMT2AMAPTIDH2
Trifluoroacetic Acid SCHEMBL16238799 0.83 NOTUM (0.44) ALDH1A1MEN1KMT2AMAPTIDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1910/4885MEN1 3505/4885KMT2A 1287/4885

“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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