SCHEMBL20538722

SCHEMBL20538722

O=C(O)c1cn(C2=CC3=CC4C=CN3C(=C2)C4)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
NR4A2 P43354 1/20 0.37
RORC P51449 11/20 0.36
HTR3A P46098 1/20 0.33
TNF P01375 1/20 0.33
PLK1 P53350 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
Water SCHEMBL5055130 0.93 NR4A2 (0.37) KDM4ENR4A2RORCHTR3APLK1
SCHEMBL11553625 0.68 NR4A2 (0.69) KDM4ENR4A2RORCHTR3ATNF
SCHEMBL31601057 0.68 NR4A2 (0.69) KDM4ENR4A2RORCHTR3ATNF
SCHEMBL20538723 0.65 NR4A2 (0.46) NR4A2HTR3AALDH1A1HSD17B10CYP1A2
SCHEMBL12486470 0.62 KDM4E (0.69) KDM4EHTR3APLK1ALDH1A1GAA
SCHEMBL3678410 0.61 HTR3A (0.51) KDM4ENR4A2RORCHTR3AALDH1A1
SCHEMBL15421223 0.61 HTR3A (0.54) KDM4ENR4A2RORCHTR3ACYP1A2
SCHEMBL15421267 0.60 NR4A2 (0.56) KDM4ENR4A2RORCHTR3AAKR1C3
SCHEMBL15174383 0.60 RORC (0.53) KDM4ENR4A2RORCALDH1A1CYP2C9
SCHEMBL9263144 0.60 NR4A2 (0.60) KDM4ENR4A2RORCALDH1A1GAA

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
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2020-05-21 US disclosed
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2018-10-25 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 (3 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-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN2B, GRIN3A, GABRA5 KDM4E 1945/4885NR4A2 674/4885RORC 257/4885
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 KDM4E 1945/4885NR4A2 674/4885RORC 257/4885
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 KDM4E 1945/4885NR4A2 674/4885RORC 257/4885

“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.