SCHEMBL24212178

SCHEMBL24212178

COc1ccc(CCNNC(=N)N)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ ATM Q13315 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 1/20 0.59
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA5A P35218 1/20 0.56
▸ CA14 Q9ULX7 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP19A1 P11511 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ CHRM2 P08172 1/20 0.51

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
SCHEMBL24211769 0.89 PTGS1 (0.55) KMT2AATMPOLBMAPTCA12
SCHEMBL2678930 0.86 KMT2A (0.72) KMT2AATMPOLBMAPTCA12
SCHEMBL24211771 0.84 AKR1B1 (0.46) KMT2AATMPOLBMAPTCA12
SCHEMBL24211782 0.84 ALDH1A1 (0.57) KMT2AATMPOLBMAPTCA2
SCHEMBL24211829 0.81 SMN1; SMN2 (0.46) KMT2AATMPOLBMAPTCYP19A1
SCHEMBL23996020 0.81 CHRM2 (0.59) POLBCA1CA2CA9CA14
SCHEMBL10310313 0.79 KMT2A (0.62) KMT2AATMPOLBMAPTCA12
SCHEMBL2957274 0.78 ATM (0.71) KMT2AATMPOLBMAPTCA12
SCHEMBL5712535 0.78 ATM (0.71) KMT2AATMPOLBMAPTCA12
SCHEMBL7435099 0.78 ATM (0.76) KMT2AATMPOLBMAPTCA12

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 KMT2A 1623/4885ATM 2206/4885POLB 80/4885

“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.

Send feedback