SCHEMBL14701529

SCHEMBL14701529

CCC(=O)NC(CC)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.58
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FAAH O00519 3/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.44
PTGER4 P35408 1/20 0.43
CNR2 P34972 1/20 0.43
TACR3 P29371 2/20 0.43

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
SCHEMBL31037004 0.88 SLC6A9 (0.47) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL6859119 0.87 SMN1; SMN2 (0.53) SLC6A9ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14701530 0.84 LMNA (0.57) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL18170175 0.84 SLC6A9 (0.56) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14535420 0.82 ALDH1A1 (0.59) SLC6A9ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL14701528 0.82 ALDH1A1 (0.59) SLC6A9ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19658757 0.81 HTT (0.71) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL14535437 0.81 HTT (0.71) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL14701536 0.79 SLC6A9 (0.49) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH
SCHEMBL14701537 0.79 SLC6A9 (0.49) SLC6A9ALDH1A1LMNASMN1; SMN2FAAH

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.