SCHEMBL19670243

SCHEMBL19670243

Cc1nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N(C)CC[C@@H]2C)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34

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
SCHEMBL17655381 0.86 SMN1; SMN2 (0.39) KDM1AADORA2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19670390 0.86 MTOR (0.36) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL16775975 0.86 ALDH1A1 (0.40) KDM1AMAPTCRHR1ADORA2AALDH1A1
SCHEMBL19365904 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL17618497 0.84 ALDH1A1 (0.39) KDM1AMAPTCRHR1ADORA2AALDH1A1
SCHEMBL17618379 0.84 ALDH1A1 (0.39) KDM1AMAPTCRHR1ADORA2AALDH1A1
SCHEMBL19365368 0.83 TRPA1 (0.38) KDM1AMAPTADORA2AALDH1A1MEN1
SCHEMBL19365708 0.83 MAPT (0.41) KDM1AMAPTADORA2AALDH1A1SMN1; SMN2
SCHEMBL17618366 0.83 IDH2 (0.38) KDM1AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19365568 0.83 RHOA (0.50) KDM1AMAPTALDH1A1MEN1KMT2A

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-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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 859/4885MAPT 267/4885CRHR1 3969/4885

“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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