SCHEMBL6190815

SCHEMBL6190815

C[C@H](N)C(=O)NCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ANPEP P15144 1/20 0.54
EPHX1 P07099 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL15311172 1.00 KMT2A (0.61) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL7437248 1.00 KMT2A (0.61) KMT2ACYP2D6CYP2C9CYP2C19POLB
Hydrochloric Acid SCHEMBL5967355 0.98 KMT2A (0.59) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL10627851 0.90 KMT2A (0.77) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL10423181 0.90 KMT2A (0.77) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL10611159 0.90 KMT2A (0.77) KMT2ACYP2D6CYP2C9CYP2C19POLB
Hydrochloric Acid SCHEMBL10632778 0.89 KMT2A (0.74) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL7806373 0.87 KMT2A (0.58) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL7806369 0.87 KMT2A (0.58) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL12310885 0.87 KMT2A (0.58) KMT2ACYP2D6CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996040204-A1 NOVEL INHIBITORS OF COLLAGENASE-1 AND STROMELYSIN-I METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO claimed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed
US-4554100-A ENZYME INHIBITORS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1985-11-19 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 (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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R KMT2A 4608/4885CYP2D6 4715/4885CYP2C9 4341/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 KMT2A 3331/4885CYP2D6 3793/4885CYP2C9 4669/4885

“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.