SCHEMBL16776264

SCHEMBL16776264

Cc1nc(NC(=O)N2c3nc(-c4cccc(N5CCCCC5)c4)ccc3NCCC[C@H]2C)sc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 1/20 0.35
▸ POLQ O75417 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 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
SCHEMBL16775986 0.95 SLC27A1 (0.36) SLC27A1POLQNPC1RAB9ASMN1; SMN2
SCHEMBL16776265 0.84 HTR1A (0.42) CARM1PRMT6PRMT8JAK2KIT
SCHEMBL16776263 0.83 FAAH (0.39) CARM1PRMT6PRMT8JAK2KIT
SCHEMBL16776270 0.83 ABL1 (0.42) NPC1RAB9ASMN1; SMN2JAK2KIT
SCHEMBL19670242 0.82 SLC27A1 (0.35) SLC27A1POLQNPC1RAB9ASMN1; SMN2
SCHEMBL16776235 0.82 NPC1 (0.38) NPC1RAB9ASMN1; SMN2CDK1CCNB1
SCHEMBL16775978 0.82 MLNR (0.38) USP30
SCHEMBL17618488 0.79 POLQ (0.38) SLC27A1POLQNPC1RAB9ASMN1; SMN2
SCHEMBL16775993 0.79 ABL1 (0.43) SMN1; SMN2JAK2KITPRKCICAMK2D
SCHEMBL16776055 0.78 KARS1 (0.49) JAK2KITPRKCICAMK2DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SLC27A1 1828/4885POLQ 2242/4885NPC1 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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