SCHEMBL16775986

SCHEMBL16775986

Cc1nc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3NCC[C@H]2C)sc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 1/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 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
SCHEMBL16776264 0.95 SLC27A1 (0.35) SLC27A1HTR1AHTR7PRKCIPOLQ
SCHEMBL16775978 0.86 MLNR (0.38) USP30
SCHEMBL19670242 0.83 SLC27A1 (0.35) SLC27A1POLQNPC1RAB9ASMN1; SMN2
SCHEMBL16775993 0.83 ABL1 (0.43) HTR1APRKCIKITSMN1; SMN2JAK2
SCHEMBL16776055 0.82 KARS1 (0.49) HTR1AHTR7PRKCIKITJAK2
SCHEMBL16775987 0.80 KARS1 (0.36) HTR1AHTR7PRKCIPOLQKIT
SCHEMBL16776041 0.80 FAAH (0.40) HTR1AHTR7PRKCIPOLQKIT
SCHEMBL17618488 0.80 POLQ (0.38) SLC27A1POLQNPC1RAB9ASMN1; SMN2
SCHEMBL16776265 0.79 HTR1A (0.42) HTR1AHTR7PRKCIKITJAK2
SCHEMBL16776235 0.79 NPC1 (0.38) CDK1CCNB1NPC1RAB9ASMN1; SMN2

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 1828/4885HTR1A 4632/4885HTR7 4361/4885

“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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