SCHEMBL19706040

SCHEMBL19706040

Cn1ccc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ FYN P06241 1/20 0.36

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
SCHEMBL21841343 0.85 KMO (0.41) KDM1AKCNH2POLBRAB9AMCHR1
SCHEMBL19670601 0.85 POLB (0.41) KDM1AKCNH2POLBRAB9AMCHR1
SCHEMBL19365521 0.83 POLB (0.39) KDM1APOLBRAB9AMCHR1ALDH1A1
SCHEMBL19670247 0.83 PTGS1 (0.39) KDM1AKCNH2POLBRAB9AMCHR1
SCHEMBL19670421 0.83 MPL (0.44) KDM1APOLBRAB9AMCHR1ALDH1A1
SCHEMBL19365636 0.82 POLB (0.46) KDM1APOLBRAB9AMCHR1ALDH1A1
SCHEMBL19670449 0.82 KDR (0.40) KDM1APOLBRAB9AMCHR1ALDH1A1
SCHEMBL19670560 0.81 POLB (0.47) KDM1APOLBRAB9AMCHR1PIK3CD
SCHEMBL19706061 0.81 KDM1A (0.41) KDM1APOLBRAB9AMCHR1ALDH1A1
SCHEMBL19365306 0.81 POLB (0.44) KDM1APOLBRAB9AMCHR1ALDH1A1

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-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

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 KDM1A 859/4885KCNH2 4052/4885POLB 961/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM1A 859/4885KCNH2 4052/4885POLB 961/4885

“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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