SCHEMBL16397238

SCHEMBL16397238

Cc1cccc(CC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.51
PTGS2 P35354 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 2/20 0.46
BMP1 P13497 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
AKR1B1 P15121 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KAT2B Q92831 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL2394274 1.00 TDP1 (0.58) TDP1ALDH1A1TSHRPTGS2L3MBTL1
SCHEMBL11169261 0.83 HPGD (0.47) TDP1ALDH1A1TSHRPTGS2L3MBTL1
SCHEMBL11096559 0.83 HPGD (0.47) TDP1ALDH1A1TSHRPTGS2L3MBTL1
SCHEMBL21438038 0.81 ALDH1A1 (0.51) TDP1ALDH1A1TSHRHPGDPOLB
SCHEMBL2518122 0.81 AKR1B1 (0.58) TDP1ALDH1A1L3MBTL1POLBMEN1
SCHEMBL4388496 0.81 GPR35 (0.53) TDP1ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL31729335 0.81 TDP1 (0.64) TDP1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL67211 0.81 TDP1 (0.64) TDP1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL13905046 0.81 HPGD (0.50) TDP1ALDH1A1L3MBTL1HPGDPOLB
SCHEMBL13344110 0.80 TDP1 (0.69) TDP1ALDH1A1TSHRL3MBTL1HPGD

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-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

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 TDP1 4192/4885ALDH1A1 1468/4885TSHR 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.