Aniline

Aniline

SCHEMBL3769652

Nc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
CES1 P23141 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
PBRM1 Q86U86 1/20 0.43
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CPA1 P15085 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 2/20 0.39
C1S P09871 1/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Diphenylamine SCHEMBL27419090 0.88 MAPT (0.57) TSHRCYP3A4HSD17B10TDP1CYP1A2
Biphenyl-4-Amine SCHEMBL7061324 0.87 CYP3A4 (0.62) CES1SMN1; SMN2CYP3A4HSD17B10TDP1
Aniline SCHEMBL22129326 0.86 TSHR (0.50) TSHRCES1SMN1; SMN2HIF1APBRM1
Aniline SCHEMBL6049858 0.81 TSHR (0.73) TSHRCES1PBRM1CYP3A4HSD17B10
Aniline SCHEMBL8413315 0.81 TSHR (0.73) TSHRCES1PBRM1CYP3A4HSD17B10
Aniline SCHEMBL7517441 0.80 TSHR (0.55) TSHRSMN1; SMN2HIF1APBRM1CYP3A4
Trifluoroacetic Acid SCHEMBL8845061 0.79 TPMT (0.43) CES1TDP1MAPTPTGS1
Dalfampridine SCHEMBL21084451 0.79 MEN1 (0.56) TSHRSMN1; SMN2CYP3A4TDP1CYP1A2
Naphthalene SCHEMBL29443947 0.79 CES1 (0.54) CES1SMN1; SMN2CPA1CYP1A2MAPT
Biphenyl SCHEMBL27461116 0.79 CES1 (0.54) TSHRCES1SMN1; SMN2MAPTPTPN1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101290307-A Polyaniline solid phase micro- extraction head and method for making same NANJING UNIVERSITY OF TECHNOLOGY (CN) 2008-10-22 CN claimed
EP-1462448-B1 Process for preparing substituted coumarins COUNCIL SCIENT IND RES (IN) 2006-05-10 EP claimed
EP-1462448-A1 Process for preparing substituted coumarins Council of Scientific and Industrial Research (IN) 2004-09-29 EP claimed
US-6716996-B1 POLYANILINE SALT CATALYTIC CYCLIZATION OF PHENOL AND KETO ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-04-06 US claimed
CN-117177975-B Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2026-05-19 CN disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
EP-4326723-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-02-28 EP disclosed
CN-116731045-A KRAS inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-09-12 CN disclosed
WO-2022221940-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
EP-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 EP disclosed
WO-2019058289-A1 MAIT CELL AGONISTS VICTORIA LINK LIMITED (NZ) 2019-03-28 WO disclosed
EP-1462448-A1 Process for preparing substituted coumarins Council of Scientific and Industrial Research (IN) 2004-09-29 EP disclosed
US-6716996-B1 POLYANILINE SALT CATALYTIC CYCLIZATION OF PHENOL AND KETO ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-04-06 US disclosed
EP-1051424-A1 NOVEL SYNTHONS FOR OLIGONUCLEOTIDE SYNTHESIS HYBRIDON, INC. (US) 2000-11-15 EP disclosed
US-6117993-A Synthons for oligonucleotide synthesis HYBRIDON, INC. (US) 2000-09-12 US disclosed
EP-0836612-B1 NOVEL SYNTHONS FOR STEREOSELECTIVE OLIGONUCLEOTIDE SYNTHESIS HYBRIDON INC (US) 2000-07-26 EP disclosed
WO-1999038878-A1 NOVEL SYNTHONS FOR OLIGONUCLEOTIDE SYNTHESIS HYBRIDON, INC. (US) 1999-08-05 WO disclosed
EP-0836612-A1 NOVEL SYNTHONS FOR STEREOSELECTIVE OLIGONUCLEOTIDE SYNTHESIS HYBRIDON, Inc. (US) 1998-04-22 EP disclosed
WO-1996037504-A1 NOVEL SYNTHONS FOR STEREOSELECTIVE OLIGONUCLEOTIDE SYNTHESIS HYBRIDON, INC. (US) 1996-11-28 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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TSHR 2722/4885CES1 4109/4885SMN1; SMN2 3303/4885

“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.