SCHEMBL444885

SCHEMBL444885

Clc1ncc(-c2cccnc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 12/20 0.68
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47

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
SCHEMBL6772005 0.81 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL1742451 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL120088 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL30473120 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL29419014 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL16352428 0.78 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL25523070 0.78 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL10918242 0.78 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL27812368 0.78 CYP2A6 (0.94) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E
Hydrochloric Acid SCHEMBL4831090 0.78 CYP2A6 (0.94) CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2024-09-05 US disclosed
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-09-15 US disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
EP-3813818-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-05-05 EP disclosed
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2021-04-20 CN disclosed
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-23 US disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
CN-103200936-A Novel N-hydroxybenzamide compounds for the treatment of cancer HOFFMANN LA ROCHE 2013-07-10 CN disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (6 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP2A6 3851/4885ALDH1A1 2694/4885CYP3A4 4816/4885
US-20200123151-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CYP2A6 3851/4885ALDH1A1 2694/4885CYP3A4 4816/4885
US-20240294520-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CYP2A6 3851/4885ALDH1A1 2694/4885CYP3A4 4816/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CYP2A6 1809/4885ALDH1A1 158/4885CYP3A4 332/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP2A6 3851/4885ALDH1A1 2694/4885CYP3A4 4816/4885
US-20220289743-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE ITGA2B, ITGB6, ITGB1 CYP2A6 3851/4885ALDH1A1 2694/4885CYP3A4 4816/4885

“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.