SCHEMBL19299647

SCHEMBL19299647

O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.75
ALDH1A1 P00352 10/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
RAB9A P51151 2/20 0.67
ALOX12 P18054 1/20 0.67
LMNA P02545 6/20 0.64
GAA P10253 4/20 0.64
KDM4E B2RXH2 8/20 0.61
HTT P42858 6/20 0.61
MAPT P10636 6/20 0.61
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TP53 P04637 1/20 0.59

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
SCHEMBL19299518 0.86 KDM4E (0.71) HPGDALDH1A1SMN1; SMN2CYP2C9RAB9A
SCHEMBL19299712 0.82 KDM4E (0.76) HPGDALDH1A1SMN1; SMN2CYP2C9RAB9A
SCHEMBL16305629 0.79 ALDH1A1 (0.74) HPGDALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19299517 0.77 LMNA (0.66) HPGDALDH1A1SMN1; SMN2CYP2C9RAB9A
SCHEMBL19299521 0.77 KDM4E (1.00) ALDH1A1SMN1; SMN2CYP2C9RAB9AALOX12
SCHEMBL14096450 0.76 RAB9A (0.76) ALDH1A1RAB9AALOX12LMNAGAA
SCHEMBL19299643 0.76 KDM4E (1.00) ALDH1A1SMN1; SMN2CYP1A2RAB9ALMNA
SCHEMBL21416971 0.76 KDM4E (1.00) HPGDALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL19299539 0.75 KDM4E (1.00) HPGDALDH1A1SMN1; SMN2CYP2C9RAB9A
SCHEMBL10480376 0.75 POLB (0.74) HPGDALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 HPGD 4332/4885ALDH1A1 3822/4885SMN1; SMN2 3668/4885
US-20170246139-A1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS RNASE1, RNASEL, RNASEH1 HPGD 4332/4885ALDH1A1 3822/4885SMN1; SMN2 3668/4885

“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.