SCHEMBL15534720

SCHEMBL15534720

O=Cc1cc([N+](=O)[O-])c(OCc2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.49
CTSL P07711 3/20 0.49
POLB P06746 1/20 0.46
PTGES O14684 2/20 0.46
ERN1 O75460 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP19A1 P11511 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42

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
SCHEMBL3920850 0.86 CTSV (0.58) CTSVCTSLPOLBPTGESMEN1
SCHEMBL13504298 0.85 CTSV (0.54) CTSVCTSLPOLBPTGESMEN1
SCHEMBL856019 0.85 ERN1 (0.55) ERN1MEN1KMT2AMAPTNPC1
SCHEMBL629449 0.85 CTSV (0.48) CTSVCTSLPOLBERN1MEN1
SCHEMBL4481351 0.83 ERN1 (0.51) CTSVCTSLERN1MEN1KMT2A
SCHEMBL1137268 0.82 PTGES (0.57) CTSVCTSLPOLBPTGESMEN1
SCHEMBL4891360 0.81 MAPT (0.55) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL7116860 0.80 POLB (0.56) CTSVCTSLPOLBPTGESMEN1
SCHEMBL30699715 0.80 PTGES (0.57) CTSVCTSLPOLBPTGESMEN1
SCHEMBL810439 0.80 PTGES (0.57) CTSVCTSLPOLBPTGESMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
EP-2852596-A1 THIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
WO-2013174744-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 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-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS CTSV 3842/4885CTSL 3310/4885POLB 132/4885

“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.