SCHEMBL17618503

SCHEMBL17618503

Cn1ncc2cc(NC(=O)N3c4nc(-c5cccc(N6CCCC6)c5)ccc4N4CC[C@H]3C4)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.37
▸ MLLT1 Q03111 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR1 P21554 6/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ TRPV3 Q8NET8 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
SCHEMBL17618483 0.87 KDM1A (0.37) CREBBPNPC1ALDH1A1MAPTHPGD
SCHEMBL17618414 0.87 MAPT (0.40) CREBBPNPC1ALDH1A1MAPTMAOA
SCHEMBL17618496 0.87 CLK2 (0.39) CNR1CNR2HRH3ABL1BCR
SCHEMBL19365640 0.87 MLLT1 (0.37) CREBBPMLLT1NPC1ALDH1A1MAPT
SCHEMBL19670255 0.86 CREBBP (0.36) CREBBPMLLT1NPC1ALDH1A1MAPT
SCHEMBL17618475 0.85 ABL1 (0.39) CREBBPABL1
SCHEMBL17618728 0.85 NOTUM (0.38) MLLT1NPC1ALDH1A1MAPTHPGD
SCHEMBL19670251 0.84 MLLT1 (0.39) CREBBPMLLT1NPC1ALDH1A1MAPT
SCHEMBL17618492 0.83 ABL1 (0.42) ALDH1A1MAPTCNR1CNR2ABL1
SCHEMBL17618495 0.82 TRPV3 (0.37) CNR1CNR2ABL1BCRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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-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
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 (3 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 CREBBP 419/4885MLLT1 1934/4885NPC1 3776/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CREBBP 528/4885MLLT1 2129/4885NPC1 3380/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CREBBP 528/4885MLLT1 2129/4885NPC1 3380/4885

“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.

Send feedback