SCHEMBL12377318

SCHEMBL12377318

CC(C)n1c(N)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.50
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
BACE1 P56817 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTR1D P28221 2/20 0.40
HTR2C P28335 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2361851 0.83 BACE1 (0.39) CACNA1DKMT2ABACE1PDE2APDE10A
SCHEMBL12377327 0.83 ALDH1A1 (0.47) CACNA1DALDH1A1KMT2AMEN1PKM
SCHEMBL8044540 0.83 ALDH1A1 (0.47) CACNA1DALDH1A1KMT2AMEN1PKM
SCHEMBL2360807 0.81 CACNA1D (0.52) CACNA1DKMT2AMEN1PKMBACE1
SCHEMBL28428214 0.79 NOS2 (0.50) CACNA1DALDH1A1KMT2AMEN1PKM
SCHEMBL12377278 0.79 HSD17B10 (0.52) ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL6230957 0.78 KDM4E (0.46) ALDH1A1KMT2AMEN1BACE1KDM4E
SCHEMBL355696 0.77 USP2 (0.47) ALDH1A1KMT2AMEN1PKMCYP2C19
SCHEMBL14521693 0.77 CYP1A2 (0.55) CACNA1DKMT2AMEN1PKMCYP1A2
SCHEMBL10239606 0.76 KMT2A (0.51) CACNA1DALDH1A1KMT2AMEN1PKM

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
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 CACNA1D 4789/4885ALDH1A1 1301/4885KMT2A 4563/4885

“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.