SCHEMBL19365472

SCHEMBL19365472

Cc1nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3C3CCCC32)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.43
▸ MAPT P10636 1/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL19670494 0.86 SMN1; SMN2 (0.39) MAPTSMN1; SMN2ALDH1A1CNR1FYN
SCHEMBL19365257 0.83 PHGDH (0.46) KDM1AMAPTALDH1A1MAOAMAOB
SCHEMBL19365711 0.82 KDM1A (0.42) KDM1AMAPTMAOAMAOBJAK2
SCHEMBL19365326 0.82 KDM1A (0.41) KDM1AMAPTCRHR1ALDH1A1MAOA
SCHEMBL19670243 0.82 KDM1A (0.38) KDM1AMAPTCRHR1SMN1; SMN2ALDH1A1
SCHEMBL16775808 0.82 KDM1A (0.38) KDM1AMAPTCRHR1SMN1; SMN2ALDH1A1
SCHEMBL16238271 0.82 KDM1A (0.38) KDM1AMAPTCRHR1SMN1; SMN2ALDH1A1
SCHEMBL19365474 0.81 MAPT (0.42) KDM1AMAPTALDH1A1MAOAMAOB
SCHEMBL19706029 0.81 ALDH1A1 (0.37) KDM1AMAPTCRHR1SMN1; SMN2ALDH1A1
SCHEMBL19365597 0.81 KDM1A (0.41) KDM1AMAPTMAOAMAOBJAK2

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 4 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 859/4885MAPT 267/4885CRHR1 3969/4885
US-10590135-B2 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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