SCHEMBL2722340

SCHEMBL2722340

Cc1cc(OCc2ccccc2)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.60
▸ CTSL P07711 4/20 0.60
▸ MAPT P10636 2/20 0.51
▸ MYC P01106 1/20 0.50
▸ MAX P61244 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ CYP19A1 P11511 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47

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
SCHEMBL2722311 0.89 CTSV (0.54) CTSVCTSLMAPTMYCMAX
SCHEMBL8902301 0.86 CTSV (0.60) CTSVCTSLMAPTABCB1MEN1
SCHEMBL28257932 0.85 CTSV (0.63) CTSVCTSLMAPTMYCMAX
SCHEMBL9313845 0.84 CTSV (0.50) CTSVCTSLMAPTMYCMAX
SCHEMBL3112448 0.83 RXRA (0.59) CTSVCTSLMAPTMCL1RXRA
SCHEMBL4647237 0.82 POLB (0.48) CTSVCTSLMAPTABCB1MEN1
SCHEMBL8316504 0.81 CTSV (0.61) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL8009518 0.81 MAPT (0.52) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7116860 0.80 POLB (0.56) CTSVCTSLMAPTABCB1MEN1
SCHEMBL750245 0.80 CTSV (0.63) CTSVCTSLMAPTMYCMAX

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
CN-102482256-B N-substituted cyclic amino derivatives DAINIPPON SUMITOMO PHARMA CO 2014-11-26 — — CN disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
CN-102482256-A N-substituted cyclic amino derivatives DAINIPPON SUMITOMO PHARMA CO 2012-05-30 — — CN disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 — — EP disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 — — 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 CTSV 2290/4885CTSL 1267/4885MAPT 4293/4885

“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.

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