SCHEMBL23883181

SCHEMBL23883181

BrC#Cc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP2A6 P11509 7/20 0.44
ASIC3 Q9UHC3 2/20 0.43
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ACACB O00763 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
ALOX12 P18054 1/20 0.36
TSHR P16473 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL31612321 1.00 CYP1A2 (0.50) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL5573799 0.85 ASIC3 (0.53) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL7702432 0.81 CYP1A2 (0.48) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL30447338 0.79 ASIC3 (0.63) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL10705668 0.79 ASIC3 (0.63) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL14849821 0.78 CYP2A6 (0.58) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL5572006 0.78 ASIC3 (0.52) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL5573818 0.78 ASIC3 (0.52) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL28488853 0.77 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3
SCHEMBL12462976 0.77 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1CYP2A6ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 US disclosed
WO-2021202540-A1 HSP70 INHIBITORS AND METHODS OF USING SAME THE WISTAR INSTITUTE (US) 2021-10-07 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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same HSPA2, HSPBP1, HSP90AB1 CYP1A2 3538/4885CYP1A1 3329/4885CYP1B1 3364/4885

“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.