SCHEMBL2117232

SCHEMBL2117232

O=[N+]([O-])c1[c]c2ccccc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
P2RX4 Q99571 2/20 0.43
CYP19A1 P11511 1/20 0.42
MAPT P10636 3/20 0.42
CFTR P13569 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
AR P10275 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL10399302 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1MAPT
SCHEMBL5622614 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1SMN1; SMN2
SCHEMBL2115649 0.72 CYP19A1 (0.48) KMT2AMEN1P2RX4CYP19A1MAPT
SCHEMBL8356648 0.70 CYP19A1 (0.46) KMT2AMEN1P2RX4CYP19A1SMN1; SMN2
SCHEMBL2117558 0.69 CYP19A1 (0.44) KMT2AMEN1P2RX4CYP19A1CFTR
SCHEMBL18197991 0.66 MAPT (0.43) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL1149940 0.65 KMT2A (0.70) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL15062740 0.65 TNF (0.50) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL16386210 0.65 ALDH1A1 (0.45) HSPD1HSPE1KMT2AMEN1P2RX4
SCHEMBL16386212 0.65 AR (0.46) HSPD1HSPE1KMT2AMEN1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST HSPD1 2726/4885HSPE1 2810/4885KMT2A 3104/4885

“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.