Sugi Predict

Sugi Predict / Compounds / SCHEMBL420247

SCHEMBL420247

SCHEMBL420247

C1=CC(N2CCc3nc4cc(-c5ccco5)ccc4n3CC2)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ RAB9A P51151 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL418706 0.80 KDM4E (0.32) MAPK1HSD17B10KMT2AALDH1A1KDM4E
SCHEMBL420667 0.77 MEN1 (0.36) HRH3RAB9AMAPK1TP53MEN1
SCHEMBL422755 0.77 HRH4 (0.39) HRH4HRH3KCNH2RAB9AMAPK1
SCHEMBL420460 0.77 KDM4E (0.38) RAB9AMAPK1NPC1TP53HSD17B10
SCHEMBL420411 0.77 RAB9A (0.40) RAB9AMAPK1NPC1TP53SMN1; SMN2
SCHEMBL422621 0.77 PIK3CA (0.38) HRH4RAB9AMAPK1NPC1TP53
SCHEMBL420246 0.77 MAPT (0.48) HRH1HRH4HRH3KCNH2RAB9A
SCHEMBL420999 0.76 NPC1 (0.36) KCNH2RAB9AMAPK1NPC1MEN1
SCHEMBL422800 0.76 DHFR (0.35) RAB9AMAPK1MEN1KMT2AALDH1A1
SCHEMBL420833 0.74 MEN1 (0.38) RAB9AMAPK1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 — — US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 — — US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 — — EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 — — US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 — — WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 — — 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH1 4/4885HRH4 2/4885HRH3 1/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH1 4/4885HRH4 2/4885HRH3 1/4885

“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.