SCHEMBL211308

SCHEMBL211308

CC1=Nc2ccccc2[N]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.35
TSHR P16473 2/20 0.33
ACHE P22303 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.31
GPR3 P46089 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL9653279 0.72 ALDH1A1 (0.36) KDM4EGAATSHRALDH1A1MAPT
SCHEMBL25431743 0.72 ALDH1A1 (0.36) KDM4EGAATSHRALDH1A1MAPT
SCHEMBL4161788 0.71 KDM4E (0.35) KDM4EGAA
SCHEMBL9524431 0.69 NPC1 (0.40) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL9587387 0.69 NPC1 (0.40) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL5600868 0.69 MAPT (0.32) KDM4EGAACYP1A2NPC1ALDH1A1
SCHEMBL5840553 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21797507 0.67 ACHE (0.34) ACHEBACE1
SCHEMBL21797745 0.67 ACHE (0.34) ACHEBACE1
SCHEMBL5600526 0.67 NPC1 (0.46) KDM4EGAATSHRACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US claimed
CN-115385886-A AcrB efflux pump inhibitor and preparation method and application thereof 山东大学 2022-11-25 CN claimed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP claimed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US claimed
CN-111434658-A Organic electroluminescent materials and devices 机光科技股份有限公司 2020-07-21 CN claimed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US claimed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP claimed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
US-4904671-A ANTIARTHRITIC AGENTS; PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1990-02-27 US claimed
EP-0330327-A2 Dihydropyridines, their preparation and their use as PAF-antagonists Pfizer Limited (GB) 1989-08-30 EP claimed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 US claimed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP claimed
US-4801598-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-01-31 US claimed
EP-0299727-A1 Therapeutic agents Pfizer Limited (GB) 1989-01-18 EP claimed
EP-0290153-A1 Heterobicyclic quinolone derivatives Pfizer Limited (GB) 1988-11-09 EP claimed
EP-0266989-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-05-11 EP claimed
US-4434174-A Treating cardiovascular diseases with N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1984-02-28 US claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 EP claimed

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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 KDM4E 1554/4885GAA 2382/4885CYP1A2 4662/4885
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS KDM4E 933/4885GAA 251/4885CYP1A2 941/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS KDM4E 933/4885GAA 251/4885CYP1A2 941/4885

“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.