SCHEMBL3059631

SCHEMBL3059631

O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
EPHX1 P07099 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 2/20 0.74
HPGD P15428 1/20 0.73
TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL3050539 0.96 ALDH1A1 (0.70) ALDH1A1NPC1RAB9AEPHX1NPSR1
SCHEMBL3049551 0.91 NPC1 (0.78) ALDH1A1NPC1RAB9AEPHX1NPSR1
SCHEMBL3049979 0.90 SMN1; SMN2 (0.90) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3048252 0.90 EPHX1 (0.70) ALDH1A1NPC1RAB9AEPHX1SMN1; SMN2
SCHEMBL3046207 0.90 SMN1; SMN2 (0.84) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3718954 0.89 SMN1; SMN2 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3050278 0.89 SMN1; SMN2 (0.68) ALDH1A1NPC1RAB9AEPHX1NPSR1
SCHEMBL3050273 0.89 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AEPHX1NPSR1
Hydrochloric Acid SCHEMBL3718950 0.88 SMN1; SMN2 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3055302 0.87 SMN1; SMN2 (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200977-B1 F1F0-ATPASE INHIBITORS AND RELATED METHODS UNIV MICHIGAN (US) 2016-11-09 EP disclosed
US-8324258-B2 F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-04 US disclosed
US-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 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-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods ATP5F1A, ATP5F1B, ATP5F1D ALDH1A1 2038/4885NPC1 1071/4885RAB9A 855/4885

“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.