SCHEMBL279843

SCHEMBL279843

Cc1ccc(C(=O)NC2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM1A O60341 2/20 0.44
HTR4 Q13639 3/20 0.43
HPGD P15428 1/20 0.43
KHK P50053 1/20 0.43
F12 P00748 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
KCNMA1 Q12791 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL13162265 0.86 ALDH1A1 (0.51) ALDH1A1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL28291009 0.80 KHK (0.49) ALDH1A1NPC1RAB9AHTR4HPGD
SCHEMBL29268411 0.79 NPC1 (0.75) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2770068 0.76 ALDH1A1 (0.61) ALDH1A1TAS1R3TAS1R1TAS1R2NPC1
Bromide SCHEMBL11023029 0.75 HCAR3 (0.52) ALDH1A1NPC1HPGDCYP3A4TSHR
Isonipecotic Acid SCHEMBL27881421 0.74 ALDH1A1 (0.46) ALDH1A1NPC1TSHRKCNMA1
SCHEMBL26412524 0.74 KDM4E (0.41) ALDH1A1CYP3A4TSHRKCNMA1
SCHEMBL15483170 0.73 POLB (0.56) ALDH1A1CYP3A4TSHR
SCHEMBL16464775 0.72 POLB (0.50) ALDH1A1KHKSMYD3
SCHEMBL279571 0.72 RAB9A (0.71) ALDH1A1NPC1RAB9AKDM1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP 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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL ALDH1A1 2047/4885TAS1R3 663/4885TAS1R1 547/4885

“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.