SCHEMBL4629002

SCHEMBL4629002

NC(=NC(=O)c1cccs1)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SCN2A Q99250 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HTT P42858 4/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
NOTUM Q6P988 1/20 0.49
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 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
SCHEMBL4628459 0.93 TSHR (0.66) TSHRSMN1; SMN2TP53NPC1RAB9A
SCHEMBL4628474 0.77 SCN2A (0.86) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4627586 0.77 SCN2A (0.67) SMN1; SMN2TP53MEN1KMT2ASCN2A
SCHEMBL4628693 0.76 ALDH1A1 (0.58) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4627492 0.74 SCN2A (0.60) TSHRSMN1; SMN2MEN1KMT2ASCN2A
SCHEMBL4628490 0.74 POLB (0.69) SMN1; SMN2MEN1KMT2ASCN2AALDH1A1
SCHEMBL4629475 0.73 ALDH1A1 (0.54) SMN1; SMN2TP53MEN1KMT2ASCN2A
SCHEMBL3120560 0.73 SMN1; SMN2 (0.74) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29640094 0.73 SMN1; SMN2 (0.74) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4019697 0.73 SMN1; SMN2 (0.79) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA TSHR 3970/4885SMN1; SMN2 53/4885TP53 4226/4885

“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.