SCHEMBL4532852

SCHEMBL4532852

CCNCc1cc(C)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CXCR4 P61073 1/20 0.42
ACHE P22303 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CHRM2 P08172 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP2C9 P11712 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL16954443 0.81 TSHR (0.61) TSHRACHEHTTPOLBMAPT
SCHEMBL13598125 0.80 TSHR (0.65) TSHRACHECYP1A2CYP3A4CYP2C19
SCHEMBL4520546 0.79 TSHR (0.53) TSHRCXCR4ACHECYP1A2CYP3A4
SCHEMBL5595540 0.78 ALDH1A1 (0.35) TSHRHTTPOLBMAPTMEN1
SCHEMBL5716402 0.77 KMT2A (0.58) TSHRCYP1A2CYP3A4CYP2C19POLB
SCHEMBL1098879 0.76 POLB (0.55) TSHRCXCR4ACHEPOLBKMT2A
Hydrochloric Acid SCHEMBL952234 0.75 KMT2A (0.57) TSHRCYP1A2CYP3A4CYP2C19POLB
SCHEMBL6304685 0.75 TSHR (0.63) TSHRACHECYP1A2CYP3A4CYP2C19
SCHEMBL10155626 0.75 TSHR (0.63) TSHRACHEHTTPOLBMAPT
SCHEMBL1099443 0.75 TSHR (0.63) TSHRACHECYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 TSHR 2524/4885CXCR4 36/4885ACHE 2582/4885

“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.