SCHEMBL6136810

SCHEMBL6136810

COC(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDR P35968 2/20 0.54
F2RL3 Q96RI0 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN9A Q15858 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
FGFR1 P11362 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KDM4A O75164 1/20 0.43
PTGER1 P34995 1/20 0.43
RORC P51449 1/20 0.43
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL6137351 0.90 RORC (0.50) ALDH1A1HPGDF2RL3SCN9APTGER1
SCHEMBL6137028 0.85 RORC (0.59) ALDH1A1HPGDSCN9AHTTPTGER1
SCHEMBL5945786 0.83 SCN9A (0.62) ALDH1A1HPGDSCN9AFGFR1RORC
SCHEMBL6136884 0.79 RORC (0.66) HPGDHTTPTGER1RORC
SCHEMBL19471865 0.75 RORC (0.56) ALDH1A1HPGDSMN1; SMN2MAPK1KMT2A
Hydrochloric Acid SCHEMBL6136775 0.75 RORC (0.57) HPGDSMN1; SMN2HTTPTGER1RORC
Hydrochloric Acid SCHEMBL6136946 0.75 RORC (0.57) HPGDSMN1; SMN2HTTPTGER1RORC
SCHEMBL6136871 0.74 RORC (0.53) HPGDSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL6136970 0.73 HPGD (0.42) HPGDF2RL3SCN9AKMT2AMEN1
SCHEMBL6137025 0.73 F2RL3 (0.51) HPGDF2RL3KMT2AMEN1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED 2005-10-13 US disclosed
EP-1140856-B1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2005-04-27 EP disclosed
EP-1140856-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING Novartis AG (CH) 2001-10-10 EP disclosed
US-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening AUER MANFRED (AT) 2001-06-28 US disclosed
US-6207831-B1 A BENZOPYRAZOLE COMPOUND NOVARTIS AG (CH) 2001-03-27 US disclosed
WO-2000037448-A1 FLUORESCENT DYES FOR SOLID PHASE AND SOLUTION PHASE SCREENING NOVARTIS AG (CH) 2000-06-29 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 (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-20010005752-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLC43A1, CUTA, ANXA1 ALDH1A1 1296/4885HPGD 4341/4885SMN1; SMN2 1017/4885
US-20050227299-A1 Fluorescent dyes (AIDA) for solid phase and solution phase screening SLCO1A2, ABCG2, SLCO1B1 ALDH1A1 54/4885HPGD 2745/4885SMN1; SMN2 2379/4885

“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.