SCHEMBL4789473

SCHEMBL4789473

CC1CC(c2ccccc2[N+](=O)[O-])=CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PNMT P11086 5/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
S100A4 P26447 2/20 0.36
PTPRC P08575 1/20 0.36
ACHE P22303 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL15779191 0.81 MEN1 (0.39) ALDH1A1PNMTADRA2AADRA2BADRA2C
SCHEMBL16095740 0.81 S100A4 (0.41) PNMTADRA2AADRA2BADRA2CS100A4
Hydrochloric Acid SCHEMBL7766719 0.73 HTR7 (0.36) ALDH1A1GAAACHEKMT2A
SCHEMBL4790016 0.73 CYP2A6 (0.35) ALDH1A1HSD17B10KMT2A
SCHEMBL4788776 0.73 IDH1 (0.36) RXFP1
Hydrochloric Acid SCHEMBL1513499 0.73 HTR2C (0.53) TDP1ALDH1A1HSD17B10MAPT
SCHEMBL4790049 0.73 HTR2C (0.53) TDP1ALDH1A1HSD17B10MAPT
SCHEMBL4789681 0.73 PNMT (0.49) ALDH1A1HSD17B10PNMTADRA2AADRA2B
SCHEMBL4790042 0.71 PNMT (0.48) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL14661038 0.71 HTT (0.39) TDP1ALDH1A1HSD17B10PNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 TDP1 840/4885ALDH1A1 2588/4885PTPN1 1006/4885

“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.