SCHEMBL1921656

SCHEMBL1921656

CC(C)N(C(=O)Cc1c2ccccc2nn1-c1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MPO P05164 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NR4A3 Q92570 1/20 0.37

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
SCHEMBL1921361 0.81 MPO (0.47) ALDH1A1MAPTMPOLMNAPOLB
SCHEMBL27842382 0.78 KMT2A (0.48) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL22780224 0.77 MPO (0.52) ALDH1A1MAPTKMT2AMPOLMNA
SCHEMBL22769618 0.76 HDAC6 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28941411 0.75 POLB (0.46) ALDH1A1MPOLMNAPOLBHTT
SCHEMBL1921784 0.74 MPO (0.46) ALDH1A1MEN1KMT2AMPOLMNA
SCHEMBL28748703 0.73 MEN1 (0.41) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL13080474 0.73 MPO (0.56) ALDH1A1MAPTMPOLMNAPOLB
SCHEMBL28748655 0.72 ESR2 (0.48) NPSR1CYP1A2LMNASMN1; SMN2GAA
SCHEMBL28748649 0.72 PTGS1 (0.47) ALDH1A1NPSR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US claimed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP claimed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US claimed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP claimed
CN-101687809-A Transition metal catalyzed synthesis of 2H-indazoles SANOFI AVENTIS 2010-03-31 CN claimed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
CN-101687809-A Transition metal catalyzed synthesis of 2H-indazoles SANOFI AVENTIS 2010-03-31 CN disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 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 (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-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 ALDH1A1 259/4885NPSR1 871/4885MAPT 4103/4885

“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.