SCHEMBL887355

SCHEMBL887355

OP1(=S)Nc2ccc3ccccc3c2-c2c(ccc3ccccc23)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
WDR5 P61964 1/20 0.40
HPRT1 P00492 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
DNMT1 P26358 1/20 0.35
CYP1A2 P05177 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL887292 0.83 GPR84 (0.50) GPR84ALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL887284 0.74 GPR84 (0.65) GPR84ALDH1A1HSD17B10TSHRWDR5
SCHEMBL31280085 0.68 GPR84 (0.69) GPR84ALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL887345 0.68 GPR84 (0.69) GPR84ALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL5673224 0.63 CYP2A6 (0.65) ALDH1A1CYP2A6HSD17B10TDP1TSHR
SCHEMBL714975 0.63 ALDH1A1 (0.55) GPR84ALDH1A1CYP2A6HSD17B10TDP1
SCHEMBL29027 0.63 PTPN22 (0.65) ALDH1A1CYP2A6HSD17B10TDP1TSHR
SCHEMBL15400598 0.63 PTPN22 (0.65) ALDH1A1CYP2A6HSD17B10TDP1TSHR
SCHEMBL29362162 0.63 PTPN22 (0.65) ALDH1A1CYP2A6HSD17B10TDP1TSHR
Phenanthrene SCHEMBL28634294 0.63 HSD17B10 (0.86) ALDH1A1CYP2A6HSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 GPR84 2711/4885ALDH1A1 1001/4885CYP2A6 1074/4885

“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.