SCHEMBL4418666

SCHEMBL4418666

CC(CNC(=O)c1cccnc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
THRB P10828 1/20 0.60
EPHX2 P34913 4/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
LMNA P02545 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
TP53 P04637 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
SCHEMBL3819701 0.86 KMT2A (0.71) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL21082064 0.86 KMT2A (0.71) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL8722504 0.85 KMT2A (0.69) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL28115750 0.85 KMT2A (0.69) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL26604260 0.85 KMT2A (0.61) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL26604262 0.85 KMT2A (0.61) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL3963197 0.84 KMT2A (0.68) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL10894686 0.84 KMT2A (0.68) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL27889626 0.83 KMT2A (0.60) KMT2AMEN1THRBEPHX2CYP2C9
SCHEMBL10767093 0.82 NPC1 (0.59) KMT2AEPHX2RAB9ANPC1SMN1; SMN2

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-102458403-A insecticidal composition DOW AGROSCIENCES LLC 2012-05-16 CN disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 KMT2A 4412/4885MEN1 3670/4885THRB 38/4885

“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.