SCHEMBL439559

SCHEMBL439559

CC(C)(C)OC(=O)Nc1c(Br)ccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ NOTUM Q6P988 1/20 0.40
▸ ATR Q13535 1/20 0.38
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ AAK1 Q2M2I8 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
SCHEMBL9282753 0.86 LMNA (0.46) LMNAPOLBATRHTTRXFP1
SCHEMBL16330268 0.83 LMNA (0.44) LMNAPOLBNOTUMATRNPC1
SCHEMBL6523050 0.78 ATR (0.40) LMNAPOLBATRNPC1RAB9A
SCHEMBL30038713 0.77 CYP17A1 (0.40) LMNAPOLBATRNPC1RAB9A
SCHEMBL28459659 0.77 CYP17A1 (0.40) LMNAPOLBATRNPC1RAB9A
SCHEMBL29212741 0.76 ATR (0.39) LMNAPOLBATRNPC1RAB9A
SCHEMBL25894537 0.76 NOTUM (0.51) LMNAPOLBNOTUMNPC1RAB9A
SCHEMBL30896204 0.76 ATR (0.39) LMNAPOLBATRNPC1RAB9A
SCHEMBL25894469 0.76 MAPT (0.58) LMNAPOLBNPC1RAB9AHTT
SCHEMBL23054108 0.75 HTT (0.45) LMNAPOLBATRNPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — WO disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 — — EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 — — US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885NOTUM 2175/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885NOTUM 2175/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885POLB 4705/4885NOTUM 2175/4885

“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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