SCHEMBL23701903

SCHEMBL23701903

O=P(O)(O)Cc1ccn(Cn2cccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
FDPS P14324 1/20 0.46
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL23713996 0.85 HIF1A (0.47) HIF1AFDPSHDAC1HDAC6TSHR
SCHEMBL23701943 0.81 HIF1A (0.47) HIF1AFDPSHDAC1HDAC6TSHR
SCHEMBL23713998 0.81 HIF1A (0.41) HIF1AFDPSHDAC1HDAC6
SCHEMBL23713997 0.80 HIF1A (0.40) HIF1AFDPSHDAC1HDAC6TDP1
SCHEMBL23701909 0.78 HIF1A (0.39) HIF1AFDPS
SCHEMBL23701945 0.76 HIF1A (0.46) HIF1AFDPSHDAC1HDAC6TSHR
SCHEMBL1651954 0.69 FDPS (0.45) HIF1AFDPSHDAC1HDAC6TSHR
SCHEMBL28186758 0.68 FDPS (0.63) HIF1AFDPSHDAC1HDAC6TSHR
SCHEMBL23713995 0.67 HIF1A (0.58) HIF1AHDAC1HDAC6TSHRTDP1
Phosphoric Acid SCHEMBL16758488 0.64 FDPS (0.58) HIF1AFDPSHDAC1HDAC6TSHR

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-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 2854/4885FDPS 1142/4885PGK1 4481/4885

“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.