SCHEMBL4886785

SCHEMBL4886785

ClCc1ncn(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15B O15296 1/20 0.42
KDM4E B2RXH2 1/20 0.41
FEN1 P39748 1/20 0.40
NOTUM Q6P988 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL5481570 0.81 NOTUM (0.49) HPGDSMN1; SMN2MAPTL3MBTL1NPSR1
SCHEMBL13954314 0.81 SMN1; SMN2 (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL20856869 0.81 HPGD (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4886069 0.81 MAPT (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL11592722 0.74 CNR1 (0.44) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9300546 0.74 MAPT (0.49) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL17188705 0.73 HPGD (0.41) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL2210435 0.69 SMN1; SMN2 (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7044640 0.69 HPGD (0.49) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL2360711 0.69 MAPT (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR

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
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST HPGD 1690/4885SMN1; SMN2 4675/4885NPC1 371/4885

“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.