Sugi Predict

Sugi Predict / Compounds / SCHEMBL485944

SCHEMBL485944

SCHEMBL485944

O=C(Cl)/C=C/c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.73
▸ MAPT P10636 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ NPC1 O15118 2/20 0.73
▸ JUN P05412 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ GPR55 Q9Y2T6 1/20 0.73
▸ PFKFB3 Q16875 1/20 0.63
▸ KMT2A Q03164 1/20 0.59
▸ CYP1A1 P04798 8/20 0.57
▸ CYP1A2 P05177 8/20 0.57
▸ CYP1B1 Q16678 8/20 0.57
▸ CYP3A4 P08684 5/20 0.57
▸ CYP2D6 P10635 5/20 0.57
▸ APAF1 O14727 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ USP2 O75604 1/20 0.55

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
SCHEMBL485947 1.00 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL29514819 1.00 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL31565691 0.98 RAB9A (0.71) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL2679096 0.98 RAB9A (0.71) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL2679094 0.98 RAB9A (0.71) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598850 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598852 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL29416684 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334615 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334614 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586256-A Substituted heterocyclic compounds 首药控股(北京)股份有限公司 2024-02-23 — — CN disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 — — US disclosed
CN-112625025-B Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2022-03-29 — — CN disclosed
CN-112625025-A Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2021-04-09 — — CN disclosed
CN-105585544-B Trans- substitution vinyl derivative, pharmaceutical composition and its pharmaceutical applications containing it 杭州市西溪医院 2018-11-06 — — CN disclosed
US-9382267-B2 Small molecule inhibitors of nicotinamide phosphoribosyltransferase (NAMPT) THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2016-07-05 — — US disclosed
CN-105585544-A Trans-substituted alkene derivative, medicine composition containing same and medical application of trans-substituted alkene derivative XIXI HOSPITAL OF HANGZHOU 2016-05-18 — — CN disclosed
US-20150322093-A1 SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-11-12 — — US disclosed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 — — US disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 — — EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 — — US disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 — — WO disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 — — US disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 — — EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 — — EP disclosed
EP-0079049-B1 NOVEL SUBSTITUTED ALKANOYLIMIDAZOL-2-ONE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 — — EP disclosed
US-4447619-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1984-05-08 — — US disclosed
US-4367236-A CARDIOTONIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-01-04 — — US disclosed
US-4189484-A Antihypertensive quinazoline derivatives MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1980-02-19 — — 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 (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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 RAB9A 3245/4885MAPT 1607/4885KDM4E 1155/4885
US-20150322093-A1 SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT RAB9A 1979/4885MAPT 702/4885KDM4E 2504/4885
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives NFE2L2, NFE2, TXNRD2 RAB9A 1227/4885MAPT 3234/4885KDM4E 3813/4885

“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.