SCHEMBL3048128

SCHEMBL3048128

O=C(NC(=S)Nc1cccc(-c2ccccc2)c1)c1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ RAB9A P51151 4/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ HPGD P15428 2/20 0.73
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ MIF P14174 1/20 0.65
▸ KCNK3 O14649 1/20 0.60
▸ KCNK9 Q9NPC2 1/20 0.60
▸ ALOX12 P18054 1/20 0.60

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
SCHEMBL3050273 0.91 ALDH1A1 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3049551 0.91 NPC1 (0.78) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL11167105 0.89 RAB9A (0.80) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3046207 0.89 SMN1; SMN2 (0.84) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3050278 0.88 SMN1; SMN2 (0.68) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3047410 0.88 ALDH1A1 (0.70) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14096632 0.88 NPC1 (0.74) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL25694006 0.86 KCNK3 (0.80) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL3050288 0.85 NPC1 (0.65) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL3058013 0.85 NPC1 (0.65) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD

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 NPC1 1071/4885ALDH1A1 2038/4885RAB9A 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.

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