SCHEMBL10069054

SCHEMBL10069054

S=C(NNC(=S)NC1CC2C=CC1C2)Nc1ccc(Br)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 1.00
▸ ALDH1A1 P00352 9/20 0.57
▸ GAA P10253 6/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
SCHEMBL11695743 0.76 NPC1 (0.74) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL11693290 0.72 NPC1 (0.71) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL5180225 0.69 GAA (0.74) TASP1ALDH1A1GAATDP1NPC1
Hydrochloric Acid SCHEMBL11697560 0.68 NPC1 (0.64) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL4257551 0.67 GAA (0.58) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL6810880 0.65 MEN1 (0.69) TASP1ALDH1A1GAANPC1RAB9A
SCHEMBL5181060 0.64 GAA (0.66) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL5181419 0.64 GAA (1.00) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL6843046 0.64 ALDH1A1 (0.73) TASP1ALDH1A1GAATDP1NPC1
SCHEMBL11692886 0.64 NPC1 (0.52) TASP1ALDH1A1GAATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501811-B2 TASPASE1 inhibitors and their uses WASHINGTON UNIVERSITY (US) 2013-08-06 — — US disclosed
US-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES THE WASHINGTON UNIVERSITY (US) 2012-01-19 — — 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-20120015990-A1 TASPASE1 INHIBITORS AND THEIR USES RNASE1, TASP1, PPA1 TASP1 2/4885ALDH1A1 3123/4885GAA 12/4885

“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.

Send feedback