SCHEMBL16396379

SCHEMBL16396379

COC(=O)Cc1ccccc1OCc1cc(Br)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MTNR1B P49286 3/20 0.47
▸ HTR1A P08908 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ CFD P00746 1/20 0.45
▸ F11 P03951 1/20 0.45
▸ TPSB2 P20231 1/20 0.45
▸ MTNR1A P48039 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16396825 0.87 CFD (0.48) ABCB1MEN1TSHRKMT2ALRRK2
SCHEMBL16396354 0.86 CFD (0.40) ABCB1MEN1TSHRKMT2AMTNR1B
SCHEMBL16396596 0.86 CFD (0.45) ABCB1MEN1KMT2ALRRK2CFD
SCHEMBL16396962 0.86 CFD (0.50) ABCB1MEN1KMT2ALRRK2CFD
SCHEMBL16396971 0.85 MRGPRX4 (0.48) MEN1KMT2ACFDF11TPSB2
SCHEMBL16396466 0.84 MAOB (0.55) ABCB1MEN1KMT2AHTR1ADRD2
SCHEMBL16396685 0.83 CFD (0.43) ABCB1MEN1TSHRKMT2ALRRK2
SCHEMBL16397062 0.80 HPGD (0.46) MEN1KMT2A
SCHEMBL16397063 0.80 HPGD (0.46) MEN1KMT2A
SCHEMBL16396531 0.80 ABCB1 (0.51) ABCB1L3MBTL1TDP1

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB ABCB1 253/4885MEN1 689/4885TSHR 4069/4885

“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.

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