SCHEMBL4074883

SCHEMBL4074883

Nc1ccc(F)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
IDO1 P14902 2/20 0.52
EP300 Q09472 2/20 0.52
KAT8 Q9H7Z6 2/20 0.52
HDAC3 O15379 1/20 0.52
KAT2B Q92831 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
CHEK1 O14757 1/20 0.46
NEK2 P51955 1/20 0.46
LIMK1 P53667 1/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
KEAP1 Q14145 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL31178708 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL6155796 0.97 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Chlorobenzene SCHEMBL8843335 0.89 TSHR (0.46) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL1991031 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29914126 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL201893 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6562728 0.83 HPRT1 (0.46) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL30366540 0.83 HPRT1 (0.46) ALDH1A1HPGDTSHRHSD17B10TDP1
SCHEMBL29404342 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL7191297 0.80 CYP3A4 (0.69) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891198-B Preparation method of polyfluorophenyl ester polymer with low dielectric loss 西安交通大学 2024-06-18 CN claimed
CN-114773586-B Poly (fluorobenzene ester) polymer material and synthetic method thereof 西安交通大学 2024-06-14 CN claimed
CN-115368292-A Benzoindole compound and synthetic method thereof 陕西科技大学 2022-11-22 CN claimed
CN-114891199-A Preparation method of poly (fluorophenyl ester) polymer with high dielectric constant 西安交通大学 2022-08-12 CN claimed
CN-114773586-A Poly (fluorophenyl ester) polymer material and synthesis method thereof 西安交通大学 2022-07-22 CN claimed
US-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2026-03-05 US disclosed
EP-4647424-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-11-12 EP disclosed
CN-120484552-B Corrosion-resistant coating-based aluminum alloy composite material and preparation method thereof 芯航同方科技(江苏)有限公司 2025-09-12 CN disclosed
CN-120484552-A Corrosion-resistant coating-based aluminum alloy composite material and preparation method thereof 芯航同方科技(江苏)有限公司 2025-08-15 CN disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
CN-114891199-B Preparation method of polyfluorophenyl ester polymer with high dielectric constant 西安交通大学 2024-06-25 CN disclosed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US disclosed
US-5637623-A CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-06-10 US disclosed
US-5622968-A ADMINISTERING TO BLOCK VOLTAGE SENSITIVE CALCIUM CHANNELS OF MAMMALIAN NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-04-22 US disclosed
US-5614630-A NEUROTRANSMITTER RELEASE MODULATOR CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-03-25 US disclosed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 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 (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-20260062412-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING MYT1 INHIBITORY ACTIVITY MYT1, NTMT1, MYL6 ALDH1A1 2880/4885CYP3A4 1957/4885HPGD 2650/4885
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 ALDH1A1 3367/4885CYP3A4 4229/4885HPGD 3263/4885

“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.