SCHEMBL16396708

SCHEMBL16396708

O=C(OC[C@H]1CCCO1)c1cc(Br)cc(OC[C@H]2CCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17802708 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL16396711 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL30092062 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL17823656 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL16396942 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL16396943 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL16396946 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL17802767 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL16396789 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL16396655 0.77 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 RAB9A 2591/4885NPC1 1309/4885SMN1; SMN2 4625/4885

“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.