SCHEMBL3098693

SCHEMBL3098693

CCOC(=O)CCCc1cc(Cl)c([N+](=O)[O-])cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TNF P01375 3/20 0.40
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR4 O95977 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
SCHEMBL3107738 0.86 TNF (0.36) POLBTNFTDP1KMT2AMEN1
SCHEMBL3110238 0.83 LMNA (0.42) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL3098431 0.81 DPP4 (0.38) POLBTNFALDH1A1KMT2ACYP3A4
SCHEMBL3102984 0.80 ALDH1A1 (0.38) ALDH1A1TDP1KMT2ACYP2C19MEN1
SCHEMBL3099715 0.79 LMNA (0.43) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL3102729 0.79 LMNA (0.43) ALDH1A1KMT2ACYP2C19MEN1CYP3A4
SCHEMBL3106349 0.79 DPP4 (0.42) ALDH1A1TDP1KMT2ACYP2C19MEN1
SCHEMBL3106345 0.79 DPP4 (0.42) ALDH1A1TDP1KMT2ACYP2C19MEN1
SCHEMBL3108223 0.78 GABRA1 (0.43) POLBALDH1A1TDP1KMT2ACYP2C19
SCHEMBL3112969 0.78 MAP2K1 (0.40) ALDH1A1KMT2ACYP2C19MEN1CYP3A4

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
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR POLB 3618/4885TNF 3050/4885ALDH1A1 3357/4885

“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.