SCHEMBL3846855

SCHEMBL3846855

CCCCc1nc(CC)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.34
NOS2 P35228 1/20 0.34
GPR84 Q9NQS5 2/20 0.34
GSK3B P49841 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
SCHEMBL10758020 0.92 ALDH1A1 (0.44) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL4134073 0.92 ALDH1A1 (0.44) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL27983100 0.92 ALDH1A1 (0.44) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL3840247 0.90 HRH3 (0.42) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL3841613 0.88 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Hydrochloric Acid SCHEMBL28183399 0.88 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL3697323 0.88 GLA (0.33) HRH3NOS2
SCHEMBL9939121 0.85 HRH3 (0.39) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL152356 0.85 HRH3 (0.39) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL28272718 0.85 KCNH2 (0.48) HRH3ALDH1A1PKMHPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024219430-A1 LATENT CURING AGENT AND ONE-PACK EPOXY RESIN COMPOSITION 株式会社T&K TOKA 2024-10-24 WO disclosed
CN-108383135-A A kind of ECNU-13 molecular sieves of topological structure and its preparation and application 华东师范大学 2018-08-10 CN disclosed
US-9029449-B2 Polymeric composition comprising metal alkoxide condensation product, organic silane compound and boron compound NITTO BOSEKI CO., LTD. (JP) 2015-05-12 US disclosed
EP-2072582-B1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND NITTO BOSEKI CO LTD (JP) 2011-12-07 EP disclosed
CN-101522809-B Polymer composition containing metal alkoxide condensation product, organosilane compound and boron compound NITTO BOSEKI CO LTD 2011-10-26 CN disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20090252970-A1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND NITTO BOSEKI CO., LTD. (JP) 2009-10-08 US disclosed
CN-101522809-A Polymer composition containing metal alkoxide condensation product, organosilane compound and boron compound NITTO BOSEKI CO LTD (JP) 2009-09-02 CN disclosed
EP-2072582-A1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND Nitto Boseki CO., LTD. (JP) 2009-06-24 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (1 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HRH3 707/4885ALDH1A1 148/4885MAPK1 1305/4885

“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.