SCHEMBL440439

SCHEMBL440439

Brc1ccc2cccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 1/20 0.59
NR4A2 P43354 1/20 0.59
BACE1 P56817 1/20 0.50
CYP2A6 P11509 1/20 0.48
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 3/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL29361503 1.00 HTT (1.00) HTTCYP1A2CYP2C19ALDH1A1MEN1
Benzoquinone SCHEMBL28253111 0.89 CYP1A2 (0.79) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL358850 0.83 HTT (0.70) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL29448230 0.83 HTT (0.70) HTTCYP1A2CYP2C19ALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL28206946 0.82 HTT (0.68) HTTCYP1A2CYP2C19ALDH1A1MEN1
Water SCHEMBL28126820 0.81 HTT (0.68) HTTCYP1A2CYP2C19ALDH1A1MEN1
Hydrochloric Acid SCHEMBL20292903 0.81 HTT (0.68) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL29485612 0.77 NPC1 (0.68) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3726615 0.77 NPC1 (0.68) HTTCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL22117518 0.76 CYP3A4 (0.63) HTTCYP1A2CYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798539-B Organic super-fluorescent scintillator without heavy atom modification and preparation method and application thereof 南京邮电大学 2025-06-10 CN claimed
CN-119798539-A Organic super-fluorescent scintillator without heavy atom modification and preparation method and application thereof 南京邮电大学 2025-04-11 CN claimed
CN-110229102-B 2-alkylated quinoline, derivative and synthetic method thereof 湘潭大学 2022-05-17 CN claimed
US-11242957-B2 Kinetic hydrate inhibitors for controlling gas hydrate formation in wet gas systems CHAMPIONX USA INC. (US) 2022-02-08 US claimed
US-20190353307-A1 KINETIC HYDRATE INHIBITORS FOR CONTROLLING GAS HYDRATE FORMATION IN WET GAS SYSTEMS HARBISON-FISCHER, INC. 2019-11-21 US claimed
CN-110229102-A 2- is alkylated quinoline, derivative and its synthetic method 湘潭大学 2019-09-13 CN claimed
EP-3420055-A1 KINETIC HYDRATE INHIBITORS FOR CONTROLLING GAS HYDRATE FORMATION IN WET GAS SYSTEMS Ecolab USA Inc. (US) 2019-01-02 EP claimed
WO-2017147426-A1 KINETIC HYDRATE INHIBITORS FOR CONTROLLING GAS HYDRATE FORMATION IN WET GAS SYSTEMS ECOLAB USA INC. (US) 2017-08-31 WO claimed
US-20170248276-A1 KINETIC HYDRATE INHIBITORS FOR CONTROLLING GAS HYDRATE FORMATION IN WET GAS SYSTEMS US SYNTHETIC CORPORATION 2017-08-31 US claimed
US-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-10-07 US disclosed
EP-4010330-B1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS HIRUNDO BIOSCIENCES (BE) 2025-10-01 EP disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
EP-4598923-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS The Regents of the University of California (US) 2025-08-13 EP disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 EP disclosed
US-5141931-A 5-Quinolinylpyridinones, cardiotonic compositions and methods STERLING WINTHROP INC. (US) 1992-08-25 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (3 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP HTT 1767/4885CYP1A2 4816/4885CYP2C19 4727/4885
US-12435128-B2 Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 INMT, CARM1, KDM1B HTT 4089/4885CYP1A2 1947/4885CYP2C19 3289/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS HTT 3175/4885CYP1A2 4845/4885CYP2C19 4509/4885

“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.