SCHEMBL10061527

SCHEMBL10061527

CN1CCC(N(C)c2cccc([N+](=O)[O-])c2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 7/20 0.37

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
SCHEMBL10061526 0.81 KMT2A (0.47) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL18392767 0.74 MAPT (0.53) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL1700013 0.74 HTT (0.46) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL9847284 0.74 TDP1 (0.48) KMT2AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2748535 0.72 STAT3 (0.50) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL30936695 0.72 LMNA (0.49) KMT2ALMNAMAPTALDH1A1POLB
SCHEMBL1197953 0.71 HTR2A (0.42) ALDH1A1POLBSMN1; SMN2HTR2AHTR2C
SCHEMBL31720579 0.70 ACHE (0.46) KMT2ALMNAMAPTALDH1A1POLB
SCHEMBL13247558 0.70 ALDH1A1 (0.54) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL2511141 0.70 MAPT (0.54) KMT2ALMNAMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 KMT2A 2782/4885NOS3 1528/4885NOS1 793/4885

“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.