SCHEMBL4407904

SCHEMBL4407904

CC(C)(C)c1nnnn1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.68
HTT P42858 5/20 0.68
HPGD P15428 3/20 0.68
MAPT P10636 2/20 0.68
CACNA1B Q00975 2/20 0.68
APBA1 Q02410 2/20 0.68
CCR6 P51684 1/20 0.68
HSP90AA1 P07900 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NLRP3 Q96P20 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL12775381 0.83 ALDH1A1 (0.72) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL10977161 0.82 ALDH1A1 (0.70) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL22792082 0.81 ALDH1A1 (0.51) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4405847 0.81 ALDH1A1 (0.64) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL2006114 0.81 ALDH1A1 (1.00) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4407371 0.81 ALDH1A1 (0.79) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL4408113 0.81 ALDH1A1 (0.68) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL22952393 0.80 ALDH1A1 (0.57) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL25669625 0.80 MAPK10 (0.54) ALDH1A1HTTHPGDMAPTCACNA1B
SCHEMBL25669620 0.79 ALDH1A1 (0.53) ALDH1A1HTTHPGDMAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
CN-104086485-B Prepare the method for poly-substituted quinoline type aromatic ring pyridine derivate TSINGHUA UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-104086485-A Method for preparing multi-substituted quinoline-type aromatic ring pyridine derivatives UNIV TSINGHUA 2014-10-08 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
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
EP-0994881-B1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON SPA (IT) 2002-09-18 EP disclosed
US-6271375-B1 ESPECIALLY PREPARATION OF TASOSARTAN; GRIGNARD REAGENTS ZAMBON GROUP S.P.A. (IT) 2001-08-07 US disclosed
CN-1274383-A Triptycene derivatives and their use in optoelectronic devices, in particular as electroluminescent materials AXIVA GMBH (DE) 2000-11-22 CN disclosed
EP-0994881-A1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON GROUP S.p.A. (IT) 2000-04-26 EP disclosed
WO-1999001459-A1 ORTHO-METALATION PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED-1-(TETRAZOL-5-YL)BENZENES ZAMBON GROUP S.P.A. (IT) 1999-01-14 WO 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 ALDH1A1 383/4885HTT 2307/4885HPGD 864/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ALDH1A1 148/4885HTT 3053/4885HPGD 18/4885

“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.