Aniline

Aniline

SCHEMBL2489874

COc1cccc(NC(=O)c2ccc3c(Cl)nnc(NCc4ccccc4)c3c2)c1.Nc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NLRP3 Q96P20 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALPG P10696 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NAMPT P43490 1/20 0.45
TP53 P04637 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL2460273 0.96 NPC1 (0.52) NPC1RAB9ANLRP3SMN1; SMN2ALDH1A1
Benzamide SCHEMBL2489873 0.92 NPC1 (0.49) NPC1RAB9ANLRP3SMN1; SMN2ALDH1A1
SCHEMBL2456526 0.92 NPC1 (0.52) NPC1RAB9ANLRP3SMN1; SMN2ALPG
SCHEMBL2465647 0.84 PPARG (0.49) AURKAAURKB
SCHEMBL2459883 0.81 NPC1 (0.65) NPC1RAB9ANLRP3SMN1; SMN2ALDH1A1
SCHEMBL2459765 0.81 PPARG (0.49) ALDH1A1KMT2AMEN1HTTTP53
SCHEMBL2457621 0.80 RXFP1 (0.55) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2459069 0.76 RXFP1 (0.55) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4986819 0.75 CSNK2A1 (0.51) ALDH1A1KMT2AMEN1HTTTP53
SCHEMBL2465245 0.75 ALDH1A1 (0.43) NPC1SMN1; SMN2ALDH1A1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 NPC1 2569/4885RAB9A 3930/4885NLRP3 3082/4885

“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.