Sugi Predict

Sugi Predict / Compounds / Aniline

Aniline

Aniline

SCHEMBL19949801

CC(C)(O)C(C)(C)OB(O)O.Nc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ MAOA P21397 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31

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
Benzene SCHEMBL19952997 0.84 — —
Aniline SCHEMBL27940427 0.80 TSHR (0.52) TSHRMAOATAAR1ALDH1A1SLC6A2
Aniline SCHEMBL28295171 0.77 TSHR (0.61) TSHRMAOATAAR1ALDH1A1ALOX15
SCHEMBL194317 0.77 THRB (0.30) —
SCHEMBL54815 0.74 MAPK1 (0.32) ALDH1A1TDP1
SCHEMBL119711 0.73 TRPV6 (0.39) ALDH1A1ALOX15ENPP2
Pyridine SCHEMBL16876649 0.73 TSHR (0.36) TSHRTDP1
SCHEMBL1032711 0.73 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL840950 0.71 ENPP2 (0.32) ALDH1A1ALOX15CYP3A4HSD17B10TDP1
SCHEMBL6552913 0.71 ALDH1A1 (0.43) TAAR1ALDH1A1ALOX15CYP3A4ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082840-B Acrylamide phenyl boric acid polymer and preparation and application thereof 中国科学院理化技术研究所 2019-07-23 — — CN claimed
EP-3510035-B1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES PROMEGA CORP (US) 2021-04-07 — — EP disclosed
CN-107082840-B Acrylamide phenyl boric acid polymer and preparation and application thereof 中国科学院理化技术研究所 2019-07-23 — — CN disclosed
EP-3510035-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES Promega Corporation (US) 2019-07-17 — — EP disclosed
US-10316070-B2 Dual protected pro-coelenterazine substrates PROMEGA CORPORATION (US) 2019-06-11 — — US disclosed
CN-105664232-B Hemostatic material and its preparation method and application 深圳清华大学研究院 2019-04-12 — — CN disclosed
WO-2018049241-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES PROMEGA CORPORATION (US) 2018-03-15 — — WO disclosed
US-20180072781-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-03-15 — — 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 (2 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-10316070-B2 Dual protected pro-coelenterazine substrates SI, GLB1, CTRL TSHR 3314/4885MAOA 1733/4885TAAR1 3519/4885
US-20180072781-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES SI, GLB1, PREP TSHR 3501/4885MAOA 2363/4885TAAR1 4283/4885

“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.