SCHEMBL3449356

SCHEMBL3449356

CC(c1nc2ccccc2[nH]1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
IDO1 P14902 1/20 0.49
MLKL Q8NB16 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
FPR1 P21462 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 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
SCHEMBL1390562 0.80 ALDH1A1 (0.37) KMT2AALDH1A1
SCHEMBL1390847 0.79 KDM4E (0.46) KMT2AALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL3451652 0.79 HRH4 (0.39) LMNAALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL17910665 0.77 KMT2A (0.51) KMT2ASMN1; SMN2LMNAALDH1A1CYP2C9
SCHEMBL17910661 0.77 KMT2A (0.51) KMT2ASMN1; SMN2LMNAALDH1A1CYP2C9
SCHEMBL9165539 0.76 KMT2A (0.50) KMT2AIDO1MLKLSMN1; SMN2ALOX12
SCHEMBL3746821 0.76 POLB (0.59) KMT2AIDO1MLKLSMN1; SMN2ALOX12
SCHEMBL9168572 0.75 KMT2A (0.52) KMT2AIDO1MLKLSMN1; SMN2ALOX12
SCHEMBL8328219 0.75 KMT2A (0.49) KMT2AIDO1MLKLSMN1; SMN2ALOX12
SCHEMBL36603600 0.75 KMT2A (0.61) KMT2AIDO1MLKLSMN1; SMN2ALOX12

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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 KMT2A 2667/4885IDO1 131/4885MLKL 3412/4885

“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.