SCHEMBL19299536

SCHEMBL19299536

CC(C)c1ccc(OCC(=O)NNC(=O)c2cc3ccccc3n2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
PHGDH O43175 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
UBE2N P61088 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19299537 0.90 UBE2N (0.54) MAPTLMNAMEN1KMT2AUBE2N
SCHEMBL19299385 0.75 GAA (0.54) RECQLRAB9ANPC1DRD2LMNA
SCHEMBL13753389 0.73 PHGDH (0.66) PHGDHRAB9ANPC1MAPTMEN1
SCHEMBL19299698 0.71 LMNA (0.64) RECQLRAB9ANPC1MAPTLMNA
SCHEMBL30525414 0.70 MCL1 (0.65) PHGDHRAB9ANPC1MAPTMEN1
SCHEMBL19299701 0.70 KMT2A (0.68) RECQLRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19299700 0.70 ALDH1A1 (0.57) RECQLRAB9ANPC1MAPTLMNA
SCHEMBL3811101 0.69 PHGDH (0.58) PHGDHRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8430118 0.68 RAB9A (0.68) RECQLRAB9ANPC1MAPTLMNA
SCHEMBL1093913 0.68 MCL1 (0.67) PHGDHRAB9ANPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212183-B1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIV ROCHESTER (US) 2019-10-02 EP disclosed
US-10028931-B2 Synergistic compositions for treating microbial infections UNIVERSITY OF ROCHESTER (US) 2018-07-24 US disclosed
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIVERSITY OF ROCHESTER (US) 2017-08-31 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-10028931-B2 Synergistic compositions for treating microbial infections RNASE1, RNASEL, RNASEH1 RECQL 682/4885PHGDH 2229/4885RAB9A 3271/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 RECQL 682/4885PHGDH 2229/4885RAB9A 3271/4885

“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.