SCHEMBL17119670

SCHEMBL17119670

CN1CCC(N(C)c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ MEN1 O00255 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
SCHEMBL17796754 0.83 POLB (0.47) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL13247558 0.79 ALDH1A1 (0.54) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL16964100 0.76 POLB (0.40) KMT2APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL13247616 0.74 JAK2 (0.56) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL1099100 0.73 RAB9A (0.45) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL18392767 0.73 MAPT (0.53) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL15178805 0.72 JAK2 (0.70) —
SCHEMBL1996115 0.72 MAPT (0.63) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL20758198 0.72 MAPT (0.49) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL14082410 0.72 MAPT (0.43) KMT2AMAPTPOLBSMN1; SMN2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 — — US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 — — US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 — — US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 — — 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 (2 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-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 KMT2A 1962/4885MAPT 2809/4885POLB 1498/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 KMT2A 1962/4885MAPT 2809/4885POLB 1498/4885

“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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