SCHEMBL24211771

SCHEMBL24211771

COc1cc(CCNNC(=N)N)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MET P08581 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL24212178 0.84 KMT2A (0.61) KMT2APOLBATMMAPTCA12
SCHEMBL24211829 0.78 SMN1; SMN2 (0.46) KMT2APOLBATMMAPTCYP3A4
SCHEMBL14213768 0.76 POLB (0.62) AKR1B1TNKS2ALOX5POLBATM
SCHEMBL24211769 0.76 PTGS1 (0.55) KMT2APOLBATMMAPTCA12
SCHEMBL16372690 0.75 AKR1B1 (0.71) AKR1B1TNKS2ALOX5MAPTMET
SCHEMBL23996020 0.75 CHRM2 (0.59) POLBCA1CA2CA9CA14
SCHEMBL24211766 0.74 MTNR1A (0.54) KMT2AMAPTCA12CA1CA2
SCHEMBL1467120 0.72 HTR2A (0.68) AKR1B1TNKS2KMT2AALOX5ATM
SCHEMBL24211782 0.71 ALDH1A1 (0.57) KMT2APOLBATMMAPTCA2
SCHEMBL24211767 0.71 TAAR1 (0.55) KMT2AALOX5POLBMAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 — — 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-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 AKR1B1 2767/4885TNKS2 1464/4885KMT2A 1623/4885

“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.

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