SCHEMBL5315134

SCHEMBL5315134

COc1ccc(C(=O)N(C)OC)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 6/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5913364 0.88 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL4833667 0.87 CASP6 (0.56) ALDH1A1CYP3A4TSHRKMT2AMAPT
SCHEMBL11615884 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRKMT2A
Hydrochloric Acid SCHEMBL11689180 0.83 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL18153017 0.83 MAPT (0.48) ALDH1A1TSHRKMT2APOLBMAPT
SCHEMBL5777374 0.83 ITGB1 (0.49) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL14561020 0.83 LMNA (0.59) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL4435755 0.83 HCAR3 (0.67) ALDH1A1TDP1POLBMAPTLMNA
SCHEMBL10013755 0.82 CYP1A2 (0.59) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL3824914 0.82 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRKMT2A

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
US-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea PFIZER INC 2007-12-13 US disclosed
WO-2007066189-A2 SALTS, PRODRUGS AND FORMULATIONS OF 1-[5-(4-AMINO-7-ISOPROPYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONYL)-2-METHOXY-PHENYL]-3-(2,4-DICHLORO-PHENYL)-UREA PFIZER PRODUCTS INC. (US) 2007-06-14 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 (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-20070287719-A1 Salts, Prodrugs and Formulations of 1-[5-(4-Amino-7-Isopropyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonyl)-2-Methoxy-Phenyl]-3-(2,4-Dichloro-Phenyl)-Urea CDKN1A, DPYD, SLC14A1 ALDH1A1 243/4885TDP1 195/4885CYP3A4 878/4885

“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.