SCHEMBL19699096

SCHEMBL19699096

O=C(NCCCN1CCOCC1)C1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CTSK P43235 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TRPV4 Q9HBA0 7/20 0.44
▸ KDR P35968 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL17618787 0.81 SMN1; SMN2 (0.45) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL17618794 0.76 LMNA (0.43) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL17618868 0.75 RHOA (0.47) SMN1; SMN2BRAFLMNAALDH1A1
SCHEMBL17624534 0.73 KMT2A (0.40) SMN1; SMN2LMNAALDH1A1
SCHEMBL19365388 0.73 SMN1; SMN2 (0.47) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL19706119 0.72 SMN1; SMN2 (0.46) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL19670281 0.71 LMNA (0.47) SMN1; SMN2POLBCTSKKCNH2TRPV4
SCHEMBL17618795 0.69 CNR2 (0.49) TRPV4CNR2
SCHEMBL19689730 0.68 ITGB2 (0.42) CTSKKCNH2LIPGGPR52ALDH1A1
SCHEMBL19699710 0.68 ITGB2 (0.42) CTSKKCNH2LIPGGPR52ALDH1A1

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 SMN1; SMN2 2122/4885POLB 961/4885CTSK 2442/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885POLB 961/4885CTSK 2442/4885

“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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