Aniline

Aniline

SCHEMBL21145205

Nc1ccccc1.O=C(O)CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
PBRM1 Q86U86 1/20 0.45
AKR1B1 P15121 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
HIF1A Q16665 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 2/20 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
Aniline SCHEMBL8819034 0.84 TSHR (0.58) TSHRPBRM1AKR1B1CYP2C19CYP2C9
Succinic Acid SCHEMBL28213289 0.84 TSHR (0.58) TSHRPBRM1AKR1B1CYP2C19RAB9A
Aniline SCHEMBL27979926 0.84 TSHR (0.58) TSHRPBRM1AKR1B1CYP2C19CYP2C9
Aniline SCHEMBL11191296 0.84 TSHR (0.58) TSHRPBRM1AKR1B1CYP2C19CYP2C9
Aniline SCHEMBL6049858 0.83 TSHR (0.73) TSHRPBRM1CYP2C19CYP2C9RAB9A
Aniline SCHEMBL8413315 0.83 TSHR (0.73) TSHRPBRM1CYP2C19CYP2C9RAB9A
Aniline SCHEMBL28175009 0.82 TSHR (0.55) TSHRPBRM1AKR1B1CYP2C19CYP2C9
Aniline SCHEMBL21145291 0.82 TSHR (0.55) TSHRPBRM1AKR1B1CYP2C19CYP2C9
Aniline SCHEMBL4894770 0.80 TSHR (0.69) TSHRPBRM1CYP2C19CYP2C9RAB9A
Aniline SCHEMBL11591138 0.80 TSHR (0.69) TSHRPBRM1CYP2C19CYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108931-B Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2024-06-14 CN claimed
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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 (4 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 TSHR 3146/4885PBRM1 1487/4885AKR1B1 1783/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK TSHR 1850/4885PBRM1 2736/4885AKR1B1 1502/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA TSHR 3345/4885PBRM1 1573/4885AKR1B1 1731/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 TSHR 2235/4885PBRM1 405/4885AKR1B1 1397/4885

“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.