SCHEMBL29508482

SCHEMBL29508482

Nc1cccc2c(N)nccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 3/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NCF1 P14598 2/20 0.54
F12 P00748 1/20 0.54
PLAU P00749 1/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
BACE1 P56817 1/20 0.54
TGFBR1 P36897 1/20 0.49
NR4A2 P43354 2/20 0.47
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL14931471 1.00 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL28196297 0.98 CYP3A4 (0.56) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16006827 0.78 CYP1A2 (0.54) ALDH1A1NCF1F12PLAUNOS3
SCHEMBL10686979 0.78 CYP1A2 (0.54) ALDH1A1TDP1NCF1F12PLAU
SCHEMBL31339851 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL24196655 0.78 NOS3 (0.50) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL564739 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL2673211 0.78 PLAU (0.54) ALDH1A1TDP1NCF1F12PLAU
SCHEMBL2380637 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL31165790 0.78 ALDH1A1 (0.54) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478970-B Precursor composition of covalent organic framework material and application thereof 中国科学院大连化学物理研究所 2023-11-03 CN claimed
CN-114478970-A Precursor composition of covalent organic framework material and application thereof 中国科学院大连化学物理研究所 2022-05-13 CN claimed
EP-4475851-A1 FORMULATIONS FOR TRANSDERMAL ADMINISTRATION OF ACTIVE AGENTS Dyve Biosciences, Inc. (US) 2024-12-18 EP disclosed
EP-4362949-A2 USE OF ISOQUINOLINE-1,5-DIAMINES FOR WOUND HEALING Lutris Pharma Ltd. (IL) 2024-05-08 EP disclosed
CN-114478970-B Precursor composition of covalent organic framework material and application thereof 中国科学院大连化学物理研究所 2023-11-03 CN disclosed
EP-4267144-A1 TOPICAL BRAF INHIBITOR COMPOSITIONS FOR TREATMENT OF EGFR DOWNSTREAM EFFECTORS - INDUCED REACTIONS Lutris Pharma Ltd. (IL) 2023-11-01 EP disclosed
US-20230321106-A1 USE OF TOPICAL BRAF INHIBITOR COMPOSITIONS FOR TREATMENT OF EPIDERMAL GROWTH FACTOR RECEPTOR DOWNSTREAM EFFECTORS - INDUCED CUTANEOUS REACTIONS LUTRIS PHARMA LTD. (IL) 2023-10-12 US disclosed
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
CN-116669739-A Topical BRAF inhibitor compositions for the treatment of EGFR downstream effector-induced responses 鲁特里斯制药有限公司 2023-08-29 CN disclosed
WO-2023154479-A1 FORMULATIONS FOR TRANSDERMAL ADMINISTRATION OF ACTIVE AGENTS DYVE BIOSCIENCES, INC. (US) 2023-08-17 WO disclosed
WO-2023275620-A2 USE OF ISOQUINOLINE-1,5-DIAMINES FOR WOUND HEALING LUTRIS PHARMA LTD. (IL) 2023-01-05 WO disclosed
US-20220298141-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-22 US disclosed
WO-2022136912-A1 TOPICAL BRAF INHIBITOR COMPOSITIONS FOR TREATMENT OF EGFR DOWNSTREAM EFFECTORS - INDUCED REACTIONS LUTRIS PHARMA LTD. (IL) 2022-06-30 WO disclosed
EP-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114478970-A Precursor composition of covalent organic framework material and application thereof 中国科学院大连化学物理研究所 2022-05-13 CN disclosed
CN-114286820-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-05 CN 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-20220298141-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA ALDH1A1 141/4885CYP3A4 24/4885HPGD 238/4885
US-20230321106-A1 USE OF TOPICAL BRAF INHIBITOR COMPOSITIONS FOR TREATMENT OF EPIDERMAL GROWTH FACTOR RECEPTOR DOWNSTREAM EFFECTORS - INDUCED CUTANEOUS REACTIONS BRAF, ERBB3, EGFR ALDH1A1 2972/4885CYP3A4 794/4885HPGD 1711/4885

“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.