SCHEMBL14701536

SCHEMBL14701536

CC[C@H](NC(=O)CN=[N+]=[N-])c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FAAH O00519 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TACR3 P29371 2/20 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
SCHEMBL14701537 1.00 SLC6A9 (0.49) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14701541 0.85 ALDH1A1 (0.44) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14703888 0.85 ALDH1A1 (0.44) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14701529 0.79 SLC6A9 (0.58) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL15918765 0.75 GPR88 (0.40) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14701538 0.75 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL18170175 0.75 SLC6A9 (0.56) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14703882 0.73 POLB (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14703881 0.72 ITGB3 (0.46) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14703913 0.72 ITGB3 (0.46) ALDH1A1LMNASMN1; SMN2HTT

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-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 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-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 SLC6A9 4174/4885ALDH1A1 368/4885LMNA 4608/4885

“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.