Aniline

Aniline

SCHEMBL5831365

Nc1ccccc1.O=S(=O)([O-])O.[H+]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

The experimentally established mechanism targets of Aniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 2/20 0.52
NT5E P21589 1/20 0.52
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MPO P05164 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR6 P50406 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
AGO2 Q9UKV8 2/20 0.42
CA12 O43570 1/20 0.42
USP2 O75604 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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 SCHEMBL5693989 0.95 TSHR (0.55) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL167327 0.87 TSHR (0.65) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL676147 0.87 TSHR (0.65) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL167326 0.87 TSHR (0.65) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL28037884 0.84 TSHR (0.61) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL28037885 0.84 TSHR (0.61) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL5693986 0.84 TSHR (0.61) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL3156113 0.84 TSHR (0.61) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL8067192 0.84 TSHR (0.61) TSHRALDH1A1NT5EKMT2ATDP1
Aniline SCHEMBL11412410 0.82 TSHR (0.58) TSHRALDH1A1NT5EKMT2ATDP1

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
EP-0063270-B1 PROCESS FOR PREPARING P-SULFANILIC ACID BAYER AG (DE) 1985-01-02 EP claimed
US-7034100-B2 Heterogeneous reaction method for preparing functionalized polyanilines NATIONAL TSING HUA UNIVERSITY (TW) 2006-04-25 US disclosed
US-20020081275-A1 Heterogeneous reaction method for preparing functionalized polyanilines NATIONAL TSING HUA UNIVERSITY (TW) 2002-06-27 US disclosed
US-6380346-B1 HIGH SOLUBILITY AND/OR HIGH PROCESSIBILITY; TREATMENT WITH A SOLUTION OF REACTIVE CHEMICAL REAGENT(S), E.G. MERCAPTAN, IN A SELECTED SOLVENT; FUNCTIONALIZING THE SOLID POLYANILINE AND TRANSFORMING THE BACKBONE INTO A MORE REDUCED FORM NATIONAL TSING HUA UNIVERSITY (TW) 2002-04-30 US disclosed
EP-0063270-A1 Process for preparing p-sulfanilic acid BAYER AG (DE) 1982-10-27 EP 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-20020081275-A1 Heterogeneous reaction method for preparing functionalized polyanilines PARG, TET2, ROS1 TSHR 3876/4885ALDH1A1 2186/4885NT5E 3342/4885

“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.