SCHEMBL18328458

SCHEMBL18328458

Cc1cc(NC(=O)COc2cccc(Br)c2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 1/20 0.51
CETP P11597 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL18328518 0.86 LMNA (0.55) MAPK1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL18328456 0.82 MAPK1 (0.76) MAPK1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL18332838 0.78 HDAC1 (0.56) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL16180109 0.75 HSD17B10 (0.70) MEN1KMT2AHSD17B10KDM4EMAPT
SCHEMBL18328450 0.74 MEN1 (0.56) MAPK1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL18328448 0.73 KMT2A (0.72) MAPK1MEN1KMT2AMAPTLMNA
SCHEMBL18332928 0.72 HDAC3 (0.67) MEN1KMT2ANPSR1SMN1; SMN2MAPT
SCHEMBL13960110 0.72 ALDH1A1 (0.55) KMT2ACYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL26627765 0.72 MAPT (0.54) MEN1KMT2ANPSR1CYP1A2SMN1; SMN2
SCHEMBL18328449 0.72 KCNH2 (0.56) MAPK1MEN1KMT2AHPGDSMN1; 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
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR MAPK1 1169/4885MEN1 4766/4885KMT2A 4247/4885

“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.