SCHEMBL439237

SCHEMBL439237

Cc1ccc(CNC(=O)NCCOCCN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44

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
SCHEMBL11936817 0.80 HPGD (0.56) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL2730689 0.79 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL10093552 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL23569027 0.78 KMT2A (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18410861 0.77 ATM (0.46) KMT2AATML3MBTL1ANPEP
SCHEMBL20649314 0.77 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL11936818 0.77 KMT2A (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20817263 0.76 MEN1 (0.45) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL437902 0.75 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL14543244 0.74 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 SMN1; SMN2 2888/4885NPC1 4509/4885RAB9A 3996/4885

“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.