SCHEMBL19670255

SCHEMBL19670255

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc4c(cnn4C)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.36
▸ MLLT1 Q03111 6/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAOB P27338 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ PTGER3 P43115 1/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ MLLT3 P42568 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL19670592 0.88 CLK2 (0.36) CREBBPALDH1A1MAPTHRH3
SCHEMBL17618503 0.86 CREBBP (0.37) CREBBPMLLT1NPC1ALDH1A1MAPT
SCHEMBL17618483 0.85 KDM1A (0.37) CREBBPNPC1ALDH1A1MAPTHPGD
SCHEMBL17618414 0.85 MAPT (0.40) CREBBPNPC1ALDH1A1MAPTMAOB
SCHEMBL19670387 0.84 HTR2C (0.38) ALDH1A1MAPT
SCHEMBL17618475 0.84 ABL1 (0.39) CREBBPBRD4
SCHEMBL19670171 0.83 PIM2 (0.32) NPC1ALDH1A1MAPTRAB9AHRH3
SCHEMBL17618728 0.83 NOTUM (0.38) MLLT1NPC1ALDH1A1MAPTHPGD
SCHEMBL19706065 0.83 RPS6KA3 (0.38) NPC1ALDH1A1MAPTRAB9AHRH3
SCHEMBL19670169 0.82 BRAF (0.40) CREBBPNPC1RAB9ABRD4

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-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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (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-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.

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