SCHEMBL17764516

SCHEMBL17764516

NC(=O)OCc1nccc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.33
NQO1 P15559 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAP4K4 O95819 1/20 0.32
CD274 Q9NZQ7 2/20 0.32
PDCD1 Q15116 1/20 0.32
POLB P06746 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3510749 0.81 TOP2A (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL24729621 0.80 KMT2A (0.46) LMNANPC1RAB9ANPSR1L3MBTL1
SCHEMBL27167090 0.77 HTT (0.43) ALDH1A1LMNARAB9AMAP4K4CCNC
SCHEMBL14639041 0.76 NQO1 (0.39) CYP1A2ALDH1A1LMNANQO1SMN1; SMN2
SCHEMBL20971432 0.75 SMN1; SMN2 (0.43) CYP1A2LMNASMN1; SMN2RAB9ACYP2D6
SCHEMBL1325189 0.75 P2RX7 (0.47) CYP1A2ALDH1A1CYP2D6L3MBTL1MAPT
SCHEMBL28609201 0.73 AOC3 (0.36) CYP1A2LMNANQO1SMN1; SMN2NPC1
SCHEMBL28775209 0.73 RECQL (0.53) CYP1A2POLBCCNCCDK8NPSR1
SCHEMBL30997750 0.73 TUBB4A (0.36) LMNA
SCHEMBL4765915 0.73 TUBB4A (0.36) LMNA

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 1 patent. 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

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 CYP1A2 402/4885ALDH1A1 1468/4885LMNA 1205/4885

“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.