SCHEMBL17618488

SCHEMBL17618488

Cc1nc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.38
▸ SMPD3 Q9NY59 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT8 Q9NR22 1/20 0.36
▸ SLC27A1 Q6PCB7 1/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL17618742 0.92 SMPD3 (0.40) POLQSMPD3SLC27A1ACKR3NPC1
SCHEMBL17618422 0.89 RAB9A (0.40) PPARAPPARDRAB9ASMN1; SMN2CNR1
SCHEMBL17618379 0.87 ALDH1A1 (0.39) SMN1; SMN2CNR1KDM4EALDH1A1LMNA
SCHEMBL17618480 0.87 LRRK2 (0.38) SMPD3JAK2JAK1
SCHEMBL17618497 0.87 ALDH1A1 (0.39) SMN1; SMN2CNR1KDM4EALDH1A1LMNA
SCHEMBL17618536 0.86 SMN1; SMN2 (0.40) PPARAPPARDACKR3NPC1RAB9A
SCHEMBL19365381 0.86 SMN1; SMN2 (0.40) PPARAPPARDACKR3NPC1RAB9A
SCHEMBL17618612 0.86 SMN1; SMN2 (0.40) PPARAPPARDACKR3NPC1RAB9A
SCHEMBL19706208 0.85 JAK2 (0.32) SMPD3SLC27A1NPC1RAB9ASMN1; SMN2
SCHEMBL17618366 0.85 IDH2 (0.38) SMN1; SMN2KDM4EALDH1A1LMNAPOLB

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 POLQ 2337/4885SMPD3 3282/4885CARM1 860/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLQ 2242/4885SMPD3 2829/4885CARM1 803/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLQ 2242/4885SMPD3 2829/4885CARM1 803/4885

“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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