SCHEMBL17147663

SCHEMBL17147663

[2H]C([2H])([2H])N(C(=O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
SIRT6 Q8N6T7 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
KCNJ1 P48048 2/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1361808 0.91 ALDH1A1 (0.50) ALDH1A1KMT2ASIRT6HPGDHTT
SCHEMBL17147662 0.88 DRD4 (0.44) ALDH1A1KMT2AHPGDSIGMAR1KCNJ1
SCHEMBL17147661 0.87 KCNJ1 (0.48) ALDH1A1KMT2ASIRT6SIGMAR1KCNJ1
SCHEMBL17147660 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AHPGDLMNAMEN1
SCHEMBL3157089 0.81 LMNA (0.56) ALDH1A1KMT2ASIGMAR1LMNAMEN1
SCHEMBL7346358 0.81 ALDH1A1 (0.62) ALDH1A1KMT2ASIRT6HPGDHTT
SCHEMBL28411789 0.80 ALDH1A1 (0.52) ALDH1A1KMT2ASIRT6HPGDHTT
SCHEMBL3143293 0.80 LMNA (0.54) ALDH1A1KMT2ASIGMAR1LMNAMEN1
SCHEMBL13808932 0.80 DRD4 (0.47) ALDH1A1HTTLMNASMN1; SMN2KDM4E
SCHEMBL27959322 0.80 CHRM2 (0.47) ALDH1A1KMT2ASIRT6HPGDHTT

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-20160257648-A1 OXINDOLE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. 2016-09-08 US disclosed
US-20150284327-A1 OXINDOLE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2015-10-08 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-20150284327-A1 OXINDOLE INHIBITORS OF TYROSINE KINASE ABL1, ERBB2, LCK ALDH1A1 2361/4885KMT2A 1089/4885SIRT6 3789/4885
US-20160257648-A1 OXINDOLE INHIBITORS OF TYROSINE KINASE ABL1, ERBB2, LCK ALDH1A1 2361/4885KMT2A 1089/4885SIRT6 3789/4885

“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.