SCHEMBL2274138

SCHEMBL2274138

C=CCCC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
POLB P06746 1/20 0.58
NAMPT P43490 1/20 0.56
TP53 P04637 2/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL6820154 0.84 ALDH1A1 (0.60) ALDH1A1POLBTP53KMT2AMEN1
SCHEMBL28997154 0.83 HDAC3 (0.57) ALDH1A1POLBNAMPTTP53KMT2A
SCHEMBL28997137 0.83 POLB (0.62) ALDH1A1POLBNAMPTTP53KMT2A
SCHEMBL28997297 0.83 NPC1 (0.61) POLBNAMPTTP53KMT2AMEN1
SCHEMBL2577548 0.82 NAMPT (0.62) ALDH1A1NAMPTMAPTHPGDSMN1; SMN2
SCHEMBL12803387 0.82 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL9109237 0.82 CYP3A4 (0.59) ALDH1A1NAMPTKMT2AMEN1MAPT
SCHEMBL30226098 0.81 MAPT (0.56) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL28997262 0.81 MAPT (0.56) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL29005913 0.80 HDAC3 (0.60) POLBNAMPTTP53KMT2AMEN1

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN claimed
CN-121537383-A Benzimidazole isoquinoline Synthesis method of ketonization reaction 湖北工业大学 2026-02-17 CN disclosed
CN-116621723-B Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2024-10-18 CN disclosed
CN-116621723-A Method for oxidizing non-activated end group olefin into secondary alcohol 江苏科技大学 2023-08-22 CN disclosed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed
CN-109776378-A Preparation method of polychlorinated methyl indoline without metal catalyst 哈尔滨商业大学 2019-05-21 CN disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 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 (1 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 ALDH1A1 4083/4885POLB 3062/4885NAMPT 1397/4885

“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.