SCHEMBL23701945

SCHEMBL23701945

BrCc1ccn(Cn2cccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23701943 0.84 HIF1A (0.47) HIF1ATSHRGAAMAPTHDAC1
SCHEMBL23713996 0.76 HIF1A (0.47) HIF1ATSHRGAAMAPTHDAC1
SCHEMBL23701903 0.76 HIF1A (0.47) HIF1ATSHRHDAC1HDAC6HTT
SCHEMBL1651954 0.74 FDPS (0.45) HIF1ATSHRGAAMAPTHDAC1
SCHEMBL859677 0.74
SCHEMBL23713998 0.72 HIF1A (0.41) HIF1AHDAC1HDAC6FDPS
SCHEMBL23713997 0.71 HIF1A (0.40) HIF1AHDAC1HDAC6FDPSTDP1
SCHEMBL23701909 0.70 HIF1A (0.39) HIF1AFDPS
SCHEMBL5869947 0.68 HDAC1 (0.50) TSHRHDAC1HDAC6
SCHEMBL6003408 0.68 TSHR (0.38) TSHRGAAMAPTNOS3NOS1

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
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
CN-110944664-A Aziridines containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates 威廉马歇莱思大学 2020-03-31 CN 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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 HIF1A 2854/4885TSHR 1226/4885GAA 256/4885

“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.