SCHEMBL17813819

SCHEMBL17813819

CCOc1nnc(C)cc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
ELANE P08246 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ACHE P22303 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRM5 P41594 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL17813820 0.81 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPTCYP2D6
SCHEMBL18699147 0.81 ELANE (0.32) ELANEHPGDSMN1; SMN2
SCHEMBL17813866 0.80 ALDH1A1 (0.35) ALDH1A1TSHRPOLBGAACYP1A2
SCHEMBL17808288 0.77 HMGCR (0.32) ELANE
SCHEMBL20091003 0.75 IRAK4 (0.33) TSHRCYP3A4GRM5TRPV1CYP2D6
SCHEMBL16386821 0.73 SLC13A5 (0.40) ALDH1A1TSHRNPSR1HPGDSMN1; SMN2
SCHEMBL12896014 0.70 LMNA (0.32) SLC6A2
SCHEMBL24950489 0.69 KDM4E (0.31) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL18751309 0.68 GABRA1 (0.39) NPSR1KMT2AHPGDSMN1; SMN2GRM5
SCHEMBL17040561 0.68 GABRA1 (0.39) ALDH1A1TSHRNPSR1MEN1KMT2A

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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE RORB, RORA, RORC ALDH1A1 163/4885TSHR 1207/4885NPSR1 285/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 ALDH1A1 300/4885TSHR 1258/4885NPSR1 1332/4885

“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.