SCHEMBL20086571

SCHEMBL20086571

Cn1cc(N)cc1C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.51
▸ RCOR1 Q9UKL0 6/20 0.51
▸ RAB9A P51151 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL21451882 0.91 PTPN1 (0.46) KDM1ARCOR1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL20527158 0.89 PTPN1 (0.44) KDM1ARCOR1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL28250003 0.85 MEN1 (0.48) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20485567 0.83 HRAS (0.45) KDM1ARCOR1MAPTLMNATP53
SCHEMBL5467775 0.83 HRAS (0.45) KDM1ARCOR1MAPTLMNATP53
SCHEMBL20515027 0.83 NR1H4 (0.53) KDM1ARCOR1ALDH1A1HDAC1
SCHEMBL16693559 0.83 RAB9A (0.54) KDM1ARCOR1RAB9AMEN1KMT2A
SCHEMBL20527335 0.81 LMNA (0.44) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL16691871 0.81 KDM1A (0.51) KDM1ARCOR1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL20527208 0.80 RXFP1 (0.54) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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
CN-108602803-A Piperidinobenzodiazepine compounds with antiproliferative activity 福姆通格尼克斯有限公司 2018-09-28 — — CN disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 — — 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-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF KDM1A 2346/4885RCOR1 4207/4885RAB9A 3108/4885

“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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