SCHEMBL20833871

SCHEMBL20833871

Cn1cc(Br)nc1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.55
BRD4 O60885 1/20 0.51
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
APOBEC3A P31941 1/20 0.46
ADORA2A P29274 1/20 0.45
KMT2A Q03164 3/20 0.45
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL20833587 0.83 BRD4 (0.51) HPGDALDH1A1BRD4POLBPKM
SCHEMBL20527221 0.78 ATR (0.47) HPGDPOLBSMN1; SMN2HDAC2HDAC8
SCHEMBL20833658 0.75 NPC1 (0.54) HPGDBRD4POLBPKMSMN1; SMN2
SCHEMBL20833638 0.74 KMT2A (0.46) ALDH1A1BRD4POLBPKMSMN1; SMN2
SCHEMBL31276998 0.72 PHGDH (0.62) HPGDALDH1A1POLBPKMSMN1; SMN2
SCHEMBL27306159 0.70 HPGD (0.62) HPGDALDH1A1POLBPKMSMN1; SMN2
SCHEMBL2736608 0.70 ALDH1A1 (0.59) HPGDALDH1A1BRD4POLBHDAC2
SCHEMBL24498596 0.69 BRD4 (0.51) HPGDALDH1A1BRD4POLBPKM
SCHEMBL13272883 0.69 NPC1 (0.73) BRD4HDAC2HDAC8HDAC6KMT2A
SCHEMBL5743914 0.69 ALDH1A1 (0.44) HPGDALDH1A1SMN1; SMN2HDAC2HDAC8

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-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-03-21 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-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NIT2, NAAA, NOS2 HPGD 687/4885ALDH1A1 2192/4885BRD4 2083/4885

“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.