Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013877

SCHEMBL2013877

SCHEMBL2013877

[O]N1C=Nc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ACHE P22303 6/20 0.37
▸ BCHE P06276 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ CTSD P07339 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
SCHEMBL2013879 0.75 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL904938 0.75 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL5008184 0.75 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL28183920 0.75 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL27753139 0.75 NPC1 (0.50) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL27731912 0.75 NPC1 (0.50) NPC1HPGDRAB9ASMN1; SMN2PDE3B
Hydrochloric Acid SCHEMBL5010650 0.73 NPC1 (0.58) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL30525272 0.73 NPC1 (0.53) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL30525283 0.73 NPC1 (0.53) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL4049974 0.73 NPC1 (0.53) NPC1HPGDRAB9ASMN1; SMN2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 — — EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 — — EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 — — EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 — — US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 — — US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 — — US disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 — — US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 — — US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 — — US disclosed
EP-2878594-A1 DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2015-06-03 — — EP disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
US-20140005221-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 — — US disclosed
EP-2669270-A1 RING-FUSED COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2013-12-04 — — EP disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 — — US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 — — US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 — — US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 — — EP 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 (6 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 NPC1 1147/4885HPGD 3957/4885RAB9A 2516/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 NPC1 1762/4885HPGD 1054/4885RAB9A 1763/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 NPC1 2186/4885HPGD 573/4885RAB9A 3692/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 NPC1 1356/4885HPGD 3765/4885RAB9A 2684/4885
US-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 NPC1 1375/4885HPGD 4401/4885RAB9A 171/4885
US-20140005221-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 NPC1 1375/4885HPGD 4401/4885RAB9A 171/4885

“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.