SCHEMBL17618763

SCHEMBL17618763

Cc1nc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3CCC2CC3)sc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ STK4 Q13043 1/20 0.37
▸ STK3 Q13188 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ HCRTR1 O43613 4/20 0.36
▸ HCRTR2 O43614 4/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL17618422 0.95 RAB9A (0.40) RAB9ASMN1; SMN2MEN1KMT2AHRH3
SCHEMBL16776285 0.91 NPC1 (0.36) RAB9ASMN1; SMN2MEN1KMT2AHRH3
SCHEMBL17618751 0.89 CRHR1 (0.37) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16775975 0.88 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17618835 0.85 ABL1 (0.38) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16776275 0.84 PIK3CG (0.36) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17618488 0.84 POLQ (0.38) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17618480 0.83 LRRK2 (0.38) HRH3LRRK2
SCHEMBL17618497 0.83 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17618379 0.83 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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 RAB9A 1244/4885SMN1; SMN2 2211/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1471/4885SMN1; SMN2 2122/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAB9A 1471/4885SMN1; SMN2 2122/4885MEN1 3676/4885

“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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