SCHEMBL16246713

SCHEMBL16246713

Clc1ccc(-c2cn3cc(-c4ccccc4)ccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 10/20 1.00
ALDH1A1 P00352 5/20 1.00
ALDH1A2 O94788 1/20 0.84
NPC1 O15118 4/20 0.79
RAB9A P51151 4/20 0.79
SLC2A1 P11166 1/20 0.74
NR4A2 P43354 5/20 0.65
KCNH2 Q12809 2/20 0.65
CYP2C9 P11712 1/20 0.65
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
CDK5 Q00535 1/20 0.59
KMT2A Q03164 1/20 0.59
CDK5R1 Q15078 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL13325769 1.00 ALDH1A3 (1.00) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL13325768 0.92 ALDH1A3 (1.00) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL2404662 0.88 RAB9A (1.00) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL16261617 0.85 ALDH1A3 (1.00) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL1691409 0.84 RAB9A (1.00) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL973129 0.84 ALDH1A3 (0.84) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL3256580 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL13553119 0.83 ALDH1A3 (0.81) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL13454269 0.83 ALDH1A3 (0.81) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL13454287 0.83 ALDH1A3 (0.81) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160120863-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2016-05-05 US disclosed
US-20160120863-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2016-05-05 US disclosed
US-20160120863-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2016-05-05 US disclosed
EP-3004088-A1 SLC2A TRANSPORTER INHIBITORS Iomet Pharma Ltd. (GB) 2016-04-13 EP disclosed
WO-2014187922-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2014-11-27 WO disclosed
WO-2014187922-A1 SLC2A TRANSPORTER INHIBITORS IOMET PHARMA LTD. (GB) 2014-11-27 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-20160120863-A1 SLC2A TRANSPORTER INHIBITORS SLCO1A2, SLCO2B1, SLCO2A1 ALDH1A3 2165/4885ALDH1A1 629/4885ALDH1A2 548/4885

“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.