SCHEMBL16745261

SCHEMBL16745261

Cc1ccc(N)c(-c2cccc(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.49
FYN P06241 2/20 0.44
PRKCI P41743 1/20 0.44
MTOR P42345 2/20 0.41
LRRK2 Q5S007 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
HTR7 P34969 1/20 0.40
PIK3CA P42336 2/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.38
GPR68 Q15743 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL12682536 0.81 RAB9A (0.48) FYNLRRK2TP53CYP3A4THRB
SCHEMBL3452137 0.80 MAP2K4 (0.51) MAP2K4FYNPRKCILRRK2HTR7
SCHEMBL3726097 0.80 ALDH1A1 (0.57) FYNPRKCILRRK2PI4K2AHTR7
SCHEMBL29492485 0.79 ALDH1A1 (0.54) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL2968260 0.79 ALDH1A1 (0.54) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL20530624 0.78 MAP2K4 (0.47) MAP2K4FYNPRKCIMTORLRRK2
SCHEMBL3789303 0.78 MAOB (0.51) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL27955745 0.77 PI4K2A (0.48) FYNPRKCIPI4K2AACMSDPRSS1
SCHEMBL14960038 0.77 PRKCI (0.58) MAP2K4PRKCIACMSDCHRNB4CHRNA3
SCHEMBL3790924 0.77 KDM4E (0.46) FYNPRKCIPI4K2ACYP3A4CHRNB4

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-9399654-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-07-26 US disclosed
US-9399654-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-07-26 US disclosed
US-20150147750-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-05-28 US disclosed
US-20150147750-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-05-28 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 (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-20150147750-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, ALDH1A3, SOD3 MAP2K4 2984/4885FYN 4249/4885PRKCI 3073/4885

“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.