SCHEMBL5154367

SCHEMBL5154367

Cn1ccc(N)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
KMT2A Q03164 4/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
KDM4A O75164 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM6A O15550 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM5C P41229 1/20 0.32

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
SCHEMBL27341809 0.78 DPP4 (0.39) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL2781478 0.76 NOTUM (0.41) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL866606 0.76 ALDH1A1 (0.39) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL28872653 0.74 GPR35 (0.40) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL12494600 0.74 KDM4E (0.33) KDM4EMAPTKDM4APOLBKDM6A
SCHEMBL5153925 0.71 CA1 (0.44) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL5173280 0.70 GABRP (0.42) KDM4EKMT2AGFERRXFP1MEN1
SCHEMBL5154729 0.70 KDM4E (0.31) KDM4EKMT2AMEN1TDP1
SCHEMBL9723823 0.70 NOTUM (0.40) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL12998009 0.69 NOTUM (0.49) KDM4EKMT2AMEN1PKMCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101284829-A Conjugates of ascorbic acid and polyamide and method for preparing same UNIV BEIJING CHEMICAL (CN) 2008-10-15 CN claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-11332496-B2 Stapled and stitched polypeptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-17 US disclosed
WO-2021030752-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
CN-101284829-A Conjugates of ascorbic acid and polyamide and method for preparing same UNIV BEIJING CHEMICAL (CN) 2008-10-15 CN disclosed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
EP-0819133-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996032496-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES MICROPROBE CORPORATION (US) 1996-10-17 WO 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 (2 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-11332496-B2 Stapled and stitched polypeptides and uses thereof VIP, NGLY1, IAPP KDM4E 4172/4885KMT2A 2951/4885GFER 3472/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 KDM4E 756/4885KMT2A 1179/4885GFER 296/4885

“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.