SCHEMBL16844142

SCHEMBL16844142

O=[N+]([O-])c1cc(Cl)c2c(c1)NC[C@H](CO)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
GPR35 Q9HC97 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PNMT P11086 1/20 0.34
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL18144568 1.00 ALDH1A1 (0.38) ALDH1A1GPR35ADRA2AADRA2BADRA2C
SCHEMBL16843967 0.78 ACHE (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL18144632 0.78 ACHE (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL3948500 0.76 PNMT (0.44) ALDH1A1ADRA2APNMTHSD17B10KMT2A
SCHEMBL20786046 0.76 PNMT (0.44) ALDH1A1ADRA2APNMTHSD17B10KMT2A
SCHEMBL16823947 0.76 PNMT (0.44) ALDH1A1ADRA2APNMTHSD17B10KMT2A
SCHEMBL11567309 0.76 MAPT (0.37) ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL8443524 0.73 ALDH1A1 (0.39) ALDH1A1GPR35ADRA2APNMTHSD17B10
SCHEMBL6999227 0.67 ALDH1A1 (0.41) ALDH1A1GPR35HSD17B10KMT2ASMN1; SMN2
SCHEMBL7001440 0.66 ALDH1A1 (0.40) ALDH1A1GPR35ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US disclosed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
WO-2015095788-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC ALDH1A1 360/4885GPR35 62/4885ADRA2A 370/4885

“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.